Chemical ID: 7107421

CC12CC3CC(C1)(CC(C3)(C2)NCc4cccc5c4cccc5)C
Chemical ID:
7107421
Name [?]:
3,5-dimethyl-N-(1-naphthylmethyl)adamantan-1-amine
SMILES [?]:
CC12CC3CC(C1)(CC(C3)(C2)NCc4cccc5c4cccc5)C
InChi [?]:
InChI=1/C23H29N/c1-21-10-17-11-22(2,14-21)16-23(12-17,15-21)24-13-19-8-5-7-18-6-3-4-9-20(18)19/h3-9,17,24H,10-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,22,21,16,23,17,15,20,3,5,10,13,7,11,8,4,18,14,19,2,6,9,12/E:(1,2)(10,11)(15,16)(21,22)/rA:24cCCCCCCCCCCCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s4s9;s2s9;s9;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;s21;s18d22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H29N
All Atoms:53
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:11.3442
Area:501.995
Solvation:-1.20564
Coulombic:-12.8391
Bond Count [?]
All:28
Single:23
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:319.483
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:6.89
LogP (Chemaxon):5.16

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Descriptor Annotations

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