1-cyclohexylcyclohexan-1-amine

C12H23N — CID 19016582

IUPAC1-cyclohexylcyclohexan-1-amine
SMILESNC1(C2CCCCC2)CCCCC1
InChIInChI=1S/C12H23N/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h11H,1-10,13H2
InChIKeySHCFCJUJGBRSPO-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.23
Rot. Bonds1

About 1-cyclohexylcyclohexan-1-amine

1-cyclohexylcyclohexan-1-amine (PubChem CID 19016582) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-cyclohexylcyclohexan-1-amine.

Molecular Properties

Compound Name1-cyclohexylcyclohexan-1-amine
PubChem CID19016582
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-cyclohexylcyclohexan-1-amine
SMILESNC1(C2CCCCC2)CCCCC1
InChIInChI=1S/C12H23N/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h11H,1-10,13H2
InChIKeySHCFCJUJGBRSPO-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylcyclohexan-1-amine?
The IUPAC name of 1-cyclohexylcyclohexan-1-amine (CID 19016582) is 1-cyclohexylcyclohexan-1-amine.
What is the SMILES notation for 1-cyclohexylcyclohexan-1-amine?
The canonical SMILES for 1-cyclohexylcyclohexan-1-amine is NC1(C2CCCCC2)CCCCC1.
What is the InChIKey of 1-cyclohexylcyclohexan-1-amine?
The InChIKey is SHCFCJUJGBRSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c13-12(9-5-2-6-10-12)11-7-3-1-4-8-11/h11H,1-10,13H2.
What are the key properties of 1-cyclohexylcyclohexan-1-amine?
1-cyclohexylcyclohexan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylcyclohexan-1-amine is sourced from PubChem (CID 19016582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).