Chemical ID: 7109439

CC12CC3CC(C1)(CC(C3)(C2)NCc4ccccn4)C
Chemical ID:
7109439
Name [?]:
3,5-dimethyl-N-(2-pyridylmethyl)adamantan-1-amine
SMILES [?]:
CC12CC3CC(C1)(CC(C3)(C2)NCc4ccccn4)C
InChi [?]:
InChI=1/C18H26N2/c1-16-7-14-8-17(2,11-16)13-18(9-14,12-16)20-10-15-5-3-4-6-19-15/h3-6,14,20H,7-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,16,17,15,18,3,5,10,13,7,11,8,4,14,2,6,9,19,12/E:(1,2)(7,8)(12,13)(16,17)/rA:20cCCCCCCCCCCCNCCCCCCNC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s4s9;s2s9;s9;s12;s13;s14;d15;s16;d17;d14s18;s6;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H26N2
All Atoms:46
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:9.70269
Area:448.683
Solvation:-1.51438
Coulombic:-15.3491
Bond Count [?]
All:23
Single:20
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:270.413
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.46
LogP (Chemaxon):3.0

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Descriptor Annotations

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