1-(1-aminoethyl)pyrrolidin-3-ol

C6H14N2O — CID 68831329

IUPAC1-(1-aminoethyl)pyrrolidin-3-ol
SMILESCC(N)N1CCC(O)C1
InChIInChI=1S/C6H14N2O/c1-5(7)8-3-2-6(9)4-8/h5-6,9H,2-4,7H2,1H3
InChIKeyGKCDQCDAOYNXNS-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.64
Rot. Bonds1

About 1-(1-aminoethyl)pyrrolidin-3-ol

1-(1-aminoethyl)pyrrolidin-3-ol (PubChem CID 68831329) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-(1-aminoethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(1-aminoethyl)pyrrolidin-3-ol
PubChem CID68831329
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name1-(1-aminoethyl)pyrrolidin-3-ol
SMILESCC(N)N1CCC(O)C1
InChIInChI=1S/C6H14N2O/c1-5(7)8-3-2-6(9)4-8/h5-6,9H,2-4,7H2,1H3
InChIKeyGKCDQCDAOYNXNS-UHFFFAOYSA-N
XLogP-0.64
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(1-aminoethyl)pyrrolidin-3-ol (CID 68831329) is 1-(1-aminoethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(1-aminoethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(1-aminoethyl)pyrrolidin-3-ol is CC(N)N1CCC(O)C1.
What is the InChIKey of 1-(1-aminoethyl)pyrrolidin-3-ol?
The InChIKey is GKCDQCDAOYNXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-5(7)8-3-2-6(9)4-8/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 1-(1-aminoethyl)pyrrolidin-3-ol?
1-(1-aminoethyl)pyrrolidin-3-ol has a molecular weight of 130.19 g/mol, XLogP of -0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoethyl)pyrrolidin-3-ol is sourced from PubChem (CID 68831329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).