N-(2-pyrrolidin-1-ylethyl)propan-1-amine

C9H20N2 — CID 15113277

IUPACN-(2-pyrrolidin-1-ylethyl)propan-1-amine
SMILESCCCNCCN1CCCC1
InChIInChI=1S/C9H20N2/c1-2-5-10-6-9-11-7-3-4-8-11/h10H,2-9H2,1H3
InChIKeyITEWBASAHQBZBQ-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.08
Rot. Bonds5

About N-(2-pyrrolidin-1-ylethyl)propan-1-amine

N-(2-pyrrolidin-1-ylethyl)propan-1-amine (PubChem CID 15113277) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)propan-1-amine
PubChem CID15113277
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN-(2-pyrrolidin-1-ylethyl)propan-1-amine
SMILESCCCNCCN1CCCC1
InChIInChI=1S/C9H20N2/c1-2-5-10-6-9-11-7-3-4-8-11/h10H,2-9H2,1H3
InChIKeyITEWBASAHQBZBQ-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
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-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)propan-1-amine (CID 15113277) is N-(2-pyrrolidin-1-ylethyl)propan-1-amine.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)propan-1-amine is CCCNCCN1CCCC1.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
The InChIKey is ITEWBASAHQBZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-2-5-10-6-9-11-7-3-4-8-11/h10H,2-9H2,1H3.
What are the key properties of N-(2-pyrrolidin-1-ylethyl)propan-1-amine?
N-(2-pyrrolidin-1-ylethyl)propan-1-amine has a molecular weight of 156.27 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)propan-1-amine is sourced from PubChem (CID 15113277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).