3-cyclopentyl-N-methylpropan-1-amine

C9H19N — CID 4630071

IUPAC3-cyclopentyl-N-methylpropan-1-amine
SMILESCNCCCC1CCCC1
InChIInChI=1S/C9H19N/c1-10-8-4-7-9-5-2-3-6-9/h9-10H,2-8H2,1H3
InChIKeyXQXPWKNEZKBRNQ-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.18
Rot. Bonds4

About 3-cyclopentyl-N-methylpropan-1-amine

3-cyclopentyl-N-methylpropan-1-amine (PubChem CID 4630071) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 3-cyclopentyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-methylpropan-1-amine
PubChem CID4630071
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name3-cyclopentyl-N-methylpropan-1-amine
SMILESCNCCCC1CCCC1
InChIInChI=1S/C9H19N/c1-10-8-4-7-9-5-2-3-6-9/h9-10H,2-8H2,1H3
InChIKeyXQXPWKNEZKBRNQ-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-methylpropan-1-amine?
The IUPAC name of 3-cyclopentyl-N-methylpropan-1-amine (CID 4630071) is 3-cyclopentyl-N-methylpropan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-methylpropan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-methylpropan-1-amine is CNCCCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-methylpropan-1-amine?
The InChIKey is XQXPWKNEZKBRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-10-8-4-7-9-5-2-3-6-9/h9-10H,2-8H2,1H3.
What are the key properties of 3-cyclopentyl-N-methylpropan-1-amine?
3-cyclopentyl-N-methylpropan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-methylpropan-1-amine is sourced from PubChem (CID 4630071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).