Chemical ID: 4288717

CC1CCCC(C1)N2CCCN(CC2)C
Chemical ID:
4288717
Name [?]:
1-methyl-4-(3-methylcyclohexyl)-1,4-diazepane
SMILES [?]:
CC1CCCC(C1)N2CCCN(CC2)C
InChi [?]:
InChI=1/C13H26N2/c1-12-5-3-6-13(11-12)15-8-4-7-14(2)9-10-15/h12-13H,3-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,4,10,3,5,11,9,13,14,7,2,6,12,8/rA:15cCCCCCCCNCCCNCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s12;s8s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H26N2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:4
ZAP Information [?]
Total:8.71886
Area:389.677
Solvation:-1.02306
Coulombic:-10.9507
Bond Count [?]
All:16
Single:16
Double:0
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:210.359
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.4
LogP (Chemaxon):1.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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