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Chemical ID: 7512734

Chemical ID:

7512734

Name [?]:

N'-(2-adamantyl)-N,N-diethyl-ethane-1,2-diamine

SMILES [?]:

CCN(CC)CCNC1C2CC3CC(C2)CC1C3

InChi [?]:

InChI=1/C16H30N2/c1-3-18(4-2)6-5-17-16-14-8-12-7-13(10-14)11-15(16)9-12/h12-17H,3-11H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,5,2,4,7,6,13,11,18,15,16,12,14,10,17,9,8,3/E:(1,2)(3,4)(8,9,10,11)(12,13)(14,15)/rA:18nCCNCCCCNCCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;s11;s12;s13;s10s14;s14;s9s16;s12s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₃₀N₂
All Atoms:	48
Heavy Atoms:	18
Chiral Atoms:	None

ZAP Information [?]

Total:	10.3307
Area:	450.241
Solvation:	-0.925359
Coulombic:	-15.2718

Bond Count [?]

All:	20
Single:	20
Double:	0
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.28
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value