Chemical ID: 3967390

CC12CC3CC(C1)(CC(C3)(C2)N)C
Chemical ID:
3967390
Name [?]:
3,5-dimethyladamantan-1-amine
SMILES [?]:
CC12CC3CC(C1)(CC(C3)(C2)N)C
InChi [?]:
InChI=1/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,3,5,10,7,11,8,4,2,6,9,12/E:(1,2)(3,4)(7,8)(10,11)/rA:13cCCCCCCCCCCCNC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s4s9;s2s9;s9;s6;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H21N
All Atoms:13
Heavy Atoms:13
Chiral Atoms:2
ZAP Information [?]
Total:7.49319
Area:318.839
Solvation:-0.4778
Coulombic:-13.7993
Bond Count [?]
All:15
Single:15
Double:0
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:179.302
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.52
LogP (Chemaxon):1.97

Name Annotations

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Descriptor Annotations

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