1-(1-propylpyrrolidin-3-yl)ethanamine

C9H20N2 — CID 83981022

IUPAC1-(1-propylpyrrolidin-3-yl)ethanamine
SMILESCCCN1CCC(C(C)N)C1
InChIInChI=1S/C9H20N2/c1-3-5-11-6-4-9(7-11)8(2)10/h8-9H,3-7,10H2,1-2H3
InChIKeyOWLMGWMDIFEVRF-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.07
Rot. Bonds3

About 1-(1-propylpyrrolidin-3-yl)ethanamine

1-(1-propylpyrrolidin-3-yl)ethanamine (PubChem CID 83981022) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-(1-propylpyrrolidin-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1-propylpyrrolidin-3-yl)ethanamine
PubChem CID83981022
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-(1-propylpyrrolidin-3-yl)ethanamine
SMILESCCCN1CCC(C(C)N)C1
InChIInChI=1S/C9H20N2/c1-3-5-11-6-4-9(7-11)8(2)10/h8-9H,3-7,10H2,1-2H3
InChIKeyOWLMGWMDIFEVRF-UHFFFAOYSA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propylpyrrolidin-3-yl)ethanamine?
The IUPAC name of 1-(1-propylpyrrolidin-3-yl)ethanamine (CID 83981022) is 1-(1-propylpyrrolidin-3-yl)ethanamine.
What is the SMILES notation for 1-(1-propylpyrrolidin-3-yl)ethanamine?
The canonical SMILES for 1-(1-propylpyrrolidin-3-yl)ethanamine is CCCN1CCC(C(C)N)C1.
What is the InChIKey of 1-(1-propylpyrrolidin-3-yl)ethanamine?
The InChIKey is OWLMGWMDIFEVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-3-5-11-6-4-9(7-11)8(2)10/h8-9H,3-7,10H2,1-2H3.
What are the key properties of 1-(1-propylpyrrolidin-3-yl)ethanamine?
1-(1-propylpyrrolidin-3-yl)ethanamine has a molecular weight of 156.27 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylpyrrolidin-3-yl)ethanamine is sourced from PubChem (CID 83981022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).