N-pentylpyrrolidin-1-amine

C9H20N2 — CID 118389774

IUPACN-pentylpyrrolidin-1-amine
SMILESCCCCCNN1CCCC1
InChIInChI=1S/C9H20N2/c1-2-3-4-7-10-11-8-5-6-9-11/h10H,2-9H2,1H3
InChIKeyVULKOZIJCLATPA-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.78
Rot. Bonds5

About N-pentylpyrrolidin-1-amine

N-pentylpyrrolidin-1-amine (PubChem CID 118389774) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N-pentylpyrrolidin-1-amine.

Molecular Properties

Compound NameN-pentylpyrrolidin-1-amine
PubChem CID118389774
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN-pentylpyrrolidin-1-amine
SMILESCCCCCNN1CCCC1
InChIInChI=1S/C9H20N2/c1-2-3-4-7-10-11-8-5-6-9-11/h10H,2-9H2,1H3
InChIKeyVULKOZIJCLATPA-UHFFFAOYSA-N
XLogP1.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-pentylpyrrolidin-1-amine?
The IUPAC name of N-pentylpyrrolidin-1-amine (CID 118389774) is N-pentylpyrrolidin-1-amine.
What is the SMILES notation for N-pentylpyrrolidin-1-amine?
The canonical SMILES for N-pentylpyrrolidin-1-amine is CCCCCNN1CCCC1.
What is the InChIKey of N-pentylpyrrolidin-1-amine?
The InChIKey is VULKOZIJCLATPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-2-3-4-7-10-11-8-5-6-9-11/h10H,2-9H2,1H3.
What are the key properties of N-pentylpyrrolidin-1-amine?
N-pentylpyrrolidin-1-amine has a molecular weight of 156.27 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylpyrrolidin-1-amine is sourced from PubChem (CID 118389774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).