1-butyl-2-cyclohexylcyclohexan-1-amine

C16H31N — CID 55187524

IUPAC1-butyl-2-cyclohexylcyclohexan-1-amine
SMILESCCCCC1(N)CCCCC1C1CCCCC1
InChIInChI=1S/C16H31N/c1-2-3-12-16(17)13-8-7-11-15(16)14-9-5-4-6-10-14/h14-15H,2-13,17H2,1H3
InChIKeyOQLPLARWBWFJTA-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.64
Rot. Bonds4

About 1-butyl-2-cyclohexylcyclohexan-1-amine

1-butyl-2-cyclohexylcyclohexan-1-amine (PubChem CID 55187524) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1-butyl-2-cyclohexylcyclohexan-1-amine.

Molecular Properties

Compound Name1-butyl-2-cyclohexylcyclohexan-1-amine
PubChem CID55187524
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1-butyl-2-cyclohexylcyclohexan-1-amine
SMILESCCCCC1(N)CCCCC1C1CCCCC1
InChIInChI=1S/C16H31N/c1-2-3-12-16(17)13-8-7-11-15(16)14-9-5-4-6-10-14/h14-15H,2-13,17H2,1H3
InChIKeyOQLPLARWBWFJTA-UHFFFAOYSA-N
XLogP4.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-cyclohexylcyclohexan-1-amine?
The IUPAC name of 1-butyl-2-cyclohexylcyclohexan-1-amine (CID 55187524) is 1-butyl-2-cyclohexylcyclohexan-1-amine.
What is the SMILES notation for 1-butyl-2-cyclohexylcyclohexan-1-amine?
The canonical SMILES for 1-butyl-2-cyclohexylcyclohexan-1-amine is CCCCC1(N)CCCCC1C1CCCCC1.
What is the InChIKey of 1-butyl-2-cyclohexylcyclohexan-1-amine?
The InChIKey is OQLPLARWBWFJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-2-3-12-16(17)13-8-7-11-15(16)14-9-5-4-6-10-14/h14-15H,2-13,17H2,1H3.
What are the key properties of 1-butyl-2-cyclohexylcyclohexan-1-amine?
1-butyl-2-cyclohexylcyclohexan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-cyclohexylcyclohexan-1-amine is sourced from PubChem (CID 55187524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).