2-pyrrolidin-1-ylpropan-1-amine

C7H16N2 — CID 11051670

IUPAC2-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CN)N1CCCC1
InChIInChI=1S/C7H16N2/c1-7(6-8)9-4-2-3-5-9/h7H,2-6,8H2,1H3
InChIKeyGUHQLUWDOMXRGQ-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.43
Rot. Bonds2

About 2-pyrrolidin-1-ylpropan-1-amine

2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 11051670) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name2-pyrrolidin-1-ylpropan-1-amine
PubChem CID11051670
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name2-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CN)N1CCCC1
InChIInChI=1S/C7H16N2/c1-7(6-8)9-4-2-3-5-9/h7H,2-6,8H2,1H3
InChIKeyGUHQLUWDOMXRGQ-UHFFFAOYSA-N
XLogP0.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 2-pyrrolidin-1-ylpropan-1-amine (CID 11051670) is 2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 2-pyrrolidin-1-ylpropan-1-amine is CC(CN)N1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is GUHQLUWDOMXRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-7(6-8)9-4-2-3-5-9/h7H,2-6,8H2,1H3.
What are the key properties of 2-pyrrolidin-1-ylpropan-1-amine?
2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 128.22 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 11051670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).