1-(aminomethyl)-N-(3-methylcyclopentyl)-3-propan-2-ylcyclohexan-1-amine

C16H32N2 — CID 107449241

IUPAC1-(aminomethyl)-N-(3-methylcyclopentyl)-3-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(NC2(CN)CCCC(C(C)C)C2)C1
InChIInChI=1S/C16H32N2/c1-12(2)14-5-4-8-16(10-14,11-17)18-15-7-6-13(3)9-15/h12-15,18H,4-11,17H2,1-3H3
InChIKeyYFHBVIRIMMLSRS-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.31
Rot. Bonds4

About 1-(aminomethyl)-N-(3-methylcyclopentyl)-3-propan-2-ylcyclohexan-1-amine

1-(aminomethyl)-N-(3-methylcyclopentyl)-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107449241) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-methylcyclopentyl)-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-methylcyclopentyl)-3-propan-2-ylcyclohexan-1-amine
PubChem CID107449241
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-(aminomethyl)-N-(3-methylcyclopentyl)-3-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(NC2(CN)CCCC(C(C)C)C2)C1
InChIInChI=1S/C16H32N2/c1-12(2)14-5-4-8-16(10-14,11-17)18-15-7-6-13(3)9-15/h12-15,18H,4-11,17H2,1-3H3
InChIKeyYFHBVIRIMMLSRS-UHFFFAOYSA-N
XLogP3.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-methylcyclopentyl)-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(3-methylcyclopentyl)-3-propan-2-ylcyclohexan-1-amine (CID 107449241) is 1-(aminomethyl)-N-(3-methylcyclopentyl)-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(3-methylcyclopentyl)-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(3-methylcyclopentyl)-3-propan-2-ylcyclohexan-1-amine is CC1CCC(NC2(CN)CCCC(C(C)C)C2)C1.
What is the InChIKey of 1-(aminomethyl)-N-(3-methylcyclopentyl)-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is YFHBVIRIMMLSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-12(2)14-5-4-8-16(10-14,11-17)18-15-7-6-13(3)9-15/h12-15,18H,4-11,17H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-(3-methylcyclopentyl)-3-propan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-N-(3-methylcyclopentyl)-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-methylcyclopentyl)-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107449241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).