4-methyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine

C16H31N — CID 63422793

IUPAC4-methyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine
SMILESCC1CCC(NC2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C16H31N/c1-12(2)14-6-10-16(11-7-14)17-15-8-4-13(3)5-9-15/h12-17H,4-11H2,1-3H3
InChIKeyNVLXFVZQDHSWGU-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.37
Rot. Bonds3

About 4-methyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine

4-methyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine (PubChem CID 63422793) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 4-methyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine
PubChem CID63422793
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name4-methyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine
SMILESCC1CCC(NC2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C16H31N/c1-12(2)14-6-10-16(11-7-14)17-15-8-4-13(3)5-9-15/h12-17H,4-11H2,1-3H3
InChIKeyNVLXFVZQDHSWGU-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 4-methyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine (CID 63422793) is 4-methyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine is CC1CCC(NC2CCC(C(C)C)CC2)CC1.
What is the InChIKey of 4-methyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine?
The InChIKey is NVLXFVZQDHSWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-12(2)14-6-10-16(11-7-14)17-15-8-4-13(3)5-9-15/h12-17H,4-11H2,1-3H3.
What are the key properties of 4-methyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine?
4-methyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-propan-2-ylcyclohexyl)cyclohexan-1-amine is sourced from PubChem (CID 63422793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).