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Chemical ID: 4178841
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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