Chemical ID: 3993724

C1C2CC3CC1CC(C2)(C3)NCCC#N
Chemical ID:
3993724
Name [?]:
3-(1-adamantylamino)propanenitrile
SMILES [?]:
C1C2CC3CC1CC(C2)(C3)NCCC#N
InChi [?]:
InChI=1/C13H20N2/c14-2-1-3-15-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12,15H,1,3-9H2
InChi Info:
AuxInfo=1/0/N:13,14,12,1,3,5,9,7,10,2,6,4,8,15,11/E:(4,5,6)(7,8,9)(10,11,12)/rA:15nCCCCCCCCCCNCCCN/rB:s1;s2;s3;s4;s1s5;s6;s7;s2s8;s4s8;s8;s11;s12;s13;t14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H20N2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.09786
Area:375.38
Solvation:-1.28664
Coulombic:-11.8666
Bond Count [?]
All:17
Single:16
Double:0
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:204.311
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.78
LogP (Chemaxon):1.58

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Descriptor Annotations

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