Chemical ID: 5012168

C1CCC(CC1)C2CCCCCN2
Chemical ID:
5012168
Name [?]:
2-cyclohexylazepane
SMILES [?]:
C1CCC(CC1)C2CCCCCN2
InChi [?]:
InChI=1/C12H23N/c1-3-7-11(8-4-1)12-9-5-2-6-10-13-12/h11-13H,1-10H2
InChi Info:
AuxInfo=1/0/N:1,10,2,6,9,11,3,5,8,12,4,7,13/E:(3,4)(7,8)/rA:13cCCCCCCCCCCCCN/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;s9;s10;s11;s7s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H23N
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:8.28068
Area:348.944
Solvation:-0.442925
Coulombic:-10.6785
Bond Count [?]
All:14
Single:14
Double:0
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:181.318
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.53
LogP (Chemaxon):2.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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