N-(3-cyclopropylcyclohexyl)-2-methylcyclohexan-1-amine

C16H29N — CID 64596012

IUPACN-(3-cyclopropylcyclohexyl)-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NC1CCCC(C2CC2)C1
InChIInChI=1S/C16H29N/c1-12-5-2-3-8-16(12)17-15-7-4-6-14(11-15)13-9-10-13/h12-17H,2-11H2,1H3
InChIKeyIMAMZXMMAKOQSC-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.12
Rot. Bonds3

About N-(3-cyclopropylcyclohexyl)-2-methylcyclohexan-1-amine

N-(3-cyclopropylcyclohexyl)-2-methylcyclohexan-1-amine (PubChem CID 64596012) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-(3-cyclopropylcyclohexyl)-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-cyclopropylcyclohexyl)-2-methylcyclohexan-1-amine
PubChem CID64596012
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-(3-cyclopropylcyclohexyl)-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NC1CCCC(C2CC2)C1
InChIInChI=1S/C16H29N/c1-12-5-2-3-8-16(12)17-15-7-4-6-14(11-15)13-9-10-13/h12-17H,2-11H2,1H3
InChIKeyIMAMZXMMAKOQSC-UHFFFAOYSA-N
XLogP4.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylcyclohexyl)-2-methylcyclohexan-1-amine?
The IUPAC name of N-(3-cyclopropylcyclohexyl)-2-methylcyclohexan-1-amine (CID 64596012) is N-(3-cyclopropylcyclohexyl)-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-(3-cyclopropylcyclohexyl)-2-methylcyclohexan-1-amine?
The canonical SMILES for N-(3-cyclopropylcyclohexyl)-2-methylcyclohexan-1-amine is CC1CCCCC1NC1CCCC(C2CC2)C1.
What is the InChIKey of N-(3-cyclopropylcyclohexyl)-2-methylcyclohexan-1-amine?
The InChIKey is IMAMZXMMAKOQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-12-5-2-3-8-16(12)17-15-7-4-6-14(11-15)13-9-10-13/h12-17H,2-11H2,1H3.
What are the key properties of N-(3-cyclopropylcyclohexyl)-2-methylcyclohexan-1-amine?
N-(3-cyclopropylcyclohexyl)-2-methylcyclohexan-1-amine has a molecular weight of 235.41 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylcyclohexyl)-2-methylcyclohexan-1-amine is sourced from PubChem (CID 64596012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).