N-cyclohexylcyclohexanamine

C12H23N — CID 7582

IUPACN-cyclohexylcyclohexanamine
SMILESC1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2
InChIKeyXBPCUCUWBYBCDP-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.24
Rot. Bonds2

About N-cyclohexylcyclohexanamine

N-cyclohexylcyclohexanamine (PubChem CID 7582) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-cyclohexylcyclohexanamine.

Molecular Properties

Compound NameN-cyclohexylcyclohexanamine
PubChem CID7582
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-cyclohexylcyclohexanamine
SMILESC1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2
InChIKeyXBPCUCUWBYBCDP-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexylcyclohexanamine?
The IUPAC name of N-cyclohexylcyclohexanamine (CID 7582) is N-cyclohexylcyclohexanamine.
What is the SMILES notation for N-cyclohexylcyclohexanamine?
The canonical SMILES for N-cyclohexylcyclohexanamine is C1CCC(NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexylcyclohexanamine?
The InChIKey is XBPCUCUWBYBCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2.
What are the key properties of N-cyclohexylcyclohexanamine?
N-cyclohexylcyclohexanamine has a molecular weight of 181.32 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylcyclohexanamine is sourced from PubChem (CID 7582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).