N,N-dicyclohexylcyclohexanamine

C36H66N2 — CID 175770337

IUPACN,N-dicyclohexylcyclohexanamine
SMILESC1CCC(N(C2CCCCC2)C2CCCCC2)CC1.C1CCC(N(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/2C18H33N/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2*16-18H,1-15H2
InChIKeyURDFMOYAGWWJMS-UHFFFAOYSA-N
MW526.94 g/mol
LogP10.57
Rot. Bonds6

About N,N-dicyclohexylcyclohexanamine

N,N-dicyclohexylcyclohexanamine (PubChem CID 175770337) has the molecular formula C36H66N2 and a molecular weight of 526.94 g/mol. Its IUPAC name is N,N-dicyclohexylcyclohexanamine.

Molecular Properties

Compound NameN,N-dicyclohexylcyclohexanamine
PubChem CID175770337
Molecular FormulaC36H66N2
Molecular Weight526.94 g/mol
Exact Mass526.52
IUPAC NameN,N-dicyclohexylcyclohexanamine
SMILESC1CCC(N(C2CCCCC2)C2CCCCC2)CC1.C1CCC(N(C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/2C18H33N/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2*16-18H,1-15H2
InChIKeyURDFMOYAGWWJMS-UHFFFAOYSA-N
XLogP10.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.94
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[di(cyclooctyl)amino]cyclohexan-1-one
CID 138676674
N,N-dicyclohexylpyrrolidin-3-amine
CID 78989096
1-cycloheptyl-1,2,2-tricyclohexylhydrazine
CID 139397453
N,N-dicyclohexyl-4-[(E)-2-[4-[4-(dicyclohexylamino)cyclohexyl]cyclohexyl]ethenyl]cyclohexan-1-amine
CID 140503095
N-cycloheptyl-5-(2-methylbutan-2-yl)-N-[5-(2-methylbutan-2-yl)cyclooctyl]cyclononan-1-amine
CID 134369025
16-N'-cyclodecyl-5-N',5-N',6-N,6-N,16-N',17-N-hexa(cyclononyl)-17-N-cyclooctylspiro[tricyclo[10.8.0.02,10]icosane-11,10'-tricyclo[9.7.0.02,9]octadecane]-5',6,16',17-tetramine
CID 134369076
N-cyclobutyl-N-methylcyclohexanamine
CID 90984290
N-[4-[4-[[4-[4-[[4-[4-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl(cyclohexyl)amino]cyclohexyl]cyclohexyl]-cyclohexylamino]cyclohexyl]cyclohexyl]-cyclohexylamino]cyclohexyl]cyclohexyl]-N-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
CID 170101439
2-[4-[(4-cyclohexylcyclohexyl)-[4-[4-[(4-cyclohexylcyclohexyl)-[4-(2-hydroxyethyl)cyclohexyl]amino]cyclohexyl]cyclohexyl]amino]cyclohexyl]ethanol
CID 140532940
1-cyclohexyl-1-cyclopropylhydrazine
CID 22132585
N-cyclopropyl-N-methylcyclooctanamine
CID 67119180
N-[4-[(E)-2-[4-[4-(dicyclohexylamino)cyclohexyl]cyclohexyl]ethenyl]cyclohexyl]-4-methyl-N-(4-methylcyclohexyl)cyclohexan-1-amine
CID 140503123

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexylcyclohexanamine?
The IUPAC name of N,N-dicyclohexylcyclohexanamine (CID 175770337) is N,N-dicyclohexylcyclohexanamine.
What is the SMILES notation for N,N-dicyclohexylcyclohexanamine?
The canonical SMILES for N,N-dicyclohexylcyclohexanamine is C1CCC(N(C2CCCCC2)C2CCCCC2)CC1.C1CCC(N(C2CCCCC2)C2CCCCC2)CC1.
What is the InChIKey of N,N-dicyclohexylcyclohexanamine?
The InChIKey is URDFMOYAGWWJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H33N/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2*16-18H,1-15H2.
What are the key properties of N,N-dicyclohexylcyclohexanamine?
N,N-dicyclohexylcyclohexanamine has a molecular weight of 526.94 g/mol, XLogP of 10.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexylcyclohexanamine is sourced from PubChem (CID 175770337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).