2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine

C16H31N — CID 43222835

IUPAC2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CNC1CCCCC1C1CCCCC1
InChIInChI=1S/C16H31N/c1-13(2)12-17-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h13-17H,3-12H2,1-2H3
InChIKeySTBCUSQYNCKXLA-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.37
Rot. Bonds4

About 2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine

2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 43222835) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine
PubChem CID43222835
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CNC1CCCCC1C1CCCCC1
InChIInChI=1S/C16H31N/c1-13(2)12-17-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h13-17H,3-12H2,1-2H3
InChIKeySTBCUSQYNCKXLA-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of 2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine (CID 43222835) is 2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for 2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine is CC(C)CNC1CCCCC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is STBCUSQYNCKXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-13(2)12-17-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h13-17H,3-12H2,1-2H3.
What are the key properties of 2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine?
2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 43222835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).