4-pentan-3-ylpyrrolidin-3-amine

C9H20N2 — CID 165454169

IUPAC4-pentan-3-ylpyrrolidin-3-amine
SMILESCCC(CC)C1CNCC1N
InChIInChI=1S/C9H20N2/c1-3-7(4-2)8-5-11-6-9(8)10/h7-9,11H,3-6,10H2,1-2H3
InChIKeyFUWPAYNRDMCIMT-UHFFFAOYSA-N
MW156.27 g/mol
LogP0.97
Rot. Bonds3

About 4-pentan-3-ylpyrrolidin-3-amine

4-pentan-3-ylpyrrolidin-3-amine (PubChem CID 165454169) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 4-pentan-3-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name4-pentan-3-ylpyrrolidin-3-amine
PubChem CID165454169
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name4-pentan-3-ylpyrrolidin-3-amine
SMILESCCC(CC)C1CNCC1N
InChIInChI=1S/C9H20N2/c1-3-7(4-2)8-5-11-6-9(8)10/h7-9,11H,3-6,10H2,1-2H3
InChIKeyFUWPAYNRDMCIMT-UHFFFAOYSA-N
XLogP0.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-pentan-3-ylpyrrolidin-3-amine?
The IUPAC name of 4-pentan-3-ylpyrrolidin-3-amine (CID 165454169) is 4-pentan-3-ylpyrrolidin-3-amine.
What is the SMILES notation for 4-pentan-3-ylpyrrolidin-3-amine?
The canonical SMILES for 4-pentan-3-ylpyrrolidin-3-amine is CCC(CC)C1CNCC1N.
What is the InChIKey of 4-pentan-3-ylpyrrolidin-3-amine?
The InChIKey is FUWPAYNRDMCIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-3-7(4-2)8-5-11-6-9(8)10/h7-9,11H,3-6,10H2,1-2H3.
What are the key properties of 4-pentan-3-ylpyrrolidin-3-amine?
4-pentan-3-ylpyrrolidin-3-amine has a molecular weight of 156.27 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentan-3-ylpyrrolidin-3-amine is sourced from PubChem (CID 165454169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).