1-pyrrolidin-2-ylethanamine

C6H14N2 — CID 14672276

IUPAC1-pyrrolidin-2-ylethanamine
SMILESCC(N)C1CCCN1
InChIInChI=1S/C6H14N2/c1-5(7)6-3-2-4-8-6/h5-6,8H,2-4,7H2,1H3
InChIKeyKAEAOSROYJPPIZ-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.09
Rot. Bonds1

About 1-pyrrolidin-2-ylethanamine

1-pyrrolidin-2-ylethanamine (PubChem CID 14672276) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is 1-pyrrolidin-2-ylethanamine.

Molecular Properties

Compound Name1-pyrrolidin-2-ylethanamine
PubChem CID14672276
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name1-pyrrolidin-2-ylethanamine
SMILESCC(N)C1CCCN1
InChIInChI=1S/C6H14N2/c1-5(7)6-3-2-4-8-6/h5-6,8H,2-4,7H2,1H3
InChIKeyKAEAOSROYJPPIZ-UHFFFAOYSA-N
XLogP0.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-2-ylethanamine?
The IUPAC name of 1-pyrrolidin-2-ylethanamine (CID 14672276) is 1-pyrrolidin-2-ylethanamine.
What is the SMILES notation for 1-pyrrolidin-2-ylethanamine?
The canonical SMILES for 1-pyrrolidin-2-ylethanamine is CC(N)C1CCCN1.
What is the InChIKey of 1-pyrrolidin-2-ylethanamine?
The InChIKey is KAEAOSROYJPPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-5(7)6-3-2-4-8-6/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 1-pyrrolidin-2-ylethanamine?
1-pyrrolidin-2-ylethanamine has a molecular weight of 114.19 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-2-ylethanamine is sourced from PubChem (CID 14672276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).