2-pentylpyrrolidin-1-amine

C9H20N2 — CID 69328533

IUPAC2-pentylpyrrolidin-1-amine
SMILESCCCCCC1CCCN1N
InChIInChI=1S/C9H20N2/c1-2-3-4-6-9-7-5-8-11(9)10/h9H,2-8,10H2,1H3
InChIKeyXRPDQPMGKZIGGM-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.90
Rot. Bonds4

About 2-pentylpyrrolidin-1-amine

2-pentylpyrrolidin-1-amine (PubChem CID 69328533) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-pentylpyrrolidin-1-amine.

Molecular Properties

Compound Name2-pentylpyrrolidin-1-amine
PubChem CID69328533
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name2-pentylpyrrolidin-1-amine
SMILESCCCCCC1CCCN1N
InChIInChI=1S/C9H20N2/c1-2-3-4-6-9-7-5-8-11(9)10/h9H,2-8,10H2,1H3
InChIKeyXRPDQPMGKZIGGM-UHFFFAOYSA-N
XLogP1.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pentylpyrrolidin-1-amine?
The IUPAC name of 2-pentylpyrrolidin-1-amine (CID 69328533) is 2-pentylpyrrolidin-1-amine.
What is the SMILES notation for 2-pentylpyrrolidin-1-amine?
The canonical SMILES for 2-pentylpyrrolidin-1-amine is CCCCCC1CCCN1N.
What is the InChIKey of 2-pentylpyrrolidin-1-amine?
The InChIKey is XRPDQPMGKZIGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-2-3-4-6-9-7-5-8-11(9)10/h9H,2-8,10H2,1H3.
What are the key properties of 2-pentylpyrrolidin-1-amine?
2-pentylpyrrolidin-1-amine has a molecular weight of 156.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylpyrrolidin-1-amine is sourced from PubChem (CID 69328533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).