Chemical ID: 4178841

CCN(CC)CCN(C)C1C2CC3CC(C2)CC1C3
Chemical ID:
4178841
Name [?]:
N'-(2-adamantyl)-N,N-diethyl-N'-methyl-ethane-1,2-diamine
SMILES [?]:
CCN(CC)CCN(C)C1C2CC3CC(C2)CC1C3
InChi [?]:
InChI=1/C17H32N2/c1-4-19(5-2)7-6-18(3)17-15-9-13-8-14(11-15)12-16(17)10-13/h13-17H,4-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,9,2,4,7,6,14,12,19,16,17,13,15,11,18,10,8,3/E:(1,2)(4,5)(9,10,11,12)(13,14)(15,16)/rA:19cCCNCCCCNCCCCCCCCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s8;s10;s11;s12;s13;s14;s11s15;s15;s10s17;s13s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H32N2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:10.5323
Area:461.754
Solvation:-1.01159
Coulombic:-11.4684
Bond Count [?]
All:21
Single:21
Double:0
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:264.449
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.52
LogP (Chemaxon):2.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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