1-(aminomethyl)pyrrolidin-2-ol

C5H12N2O — CID 67534063

IUPAC1-(aminomethyl)pyrrolidin-2-ol
SMILESNCN1CCCC1O
InChIInChI=1S/C5H12N2O/c6-4-7-3-1-2-5(7)8/h5,8H,1-4,6H2
InChIKeyHTNFZWJSURGKHN-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.68
Rot. Bonds1

About 1-(aminomethyl)pyrrolidin-2-ol

1-(aminomethyl)pyrrolidin-2-ol (PubChem CID 67534063) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 1-(aminomethyl)pyrrolidin-2-ol.

Molecular Properties

Compound Name1-(aminomethyl)pyrrolidin-2-ol
PubChem CID67534063
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name1-(aminomethyl)pyrrolidin-2-ol
SMILESNCN1CCCC1O
InChIInChI=1S/C5H12N2O/c6-4-7-3-1-2-5(7)8/h5,8H,1-4,6H2
InChIKeyHTNFZWJSURGKHN-UHFFFAOYSA-N
XLogP-0.68
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)pyrrolidin-2-ol?
The IUPAC name of 1-(aminomethyl)pyrrolidin-2-ol (CID 67534063) is 1-(aminomethyl)pyrrolidin-2-ol.
What is the SMILES notation for 1-(aminomethyl)pyrrolidin-2-ol?
The canonical SMILES for 1-(aminomethyl)pyrrolidin-2-ol is NCN1CCCC1O.
What is the InChIKey of 1-(aminomethyl)pyrrolidin-2-ol?
The InChIKey is HTNFZWJSURGKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c6-4-7-3-1-2-5(7)8/h5,8H,1-4,6H2.
What are the key properties of 1-(aminomethyl)pyrrolidin-2-ol?
1-(aminomethyl)pyrrolidin-2-ol has a molecular weight of 116.16 g/mol, XLogP of -0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)pyrrolidin-2-ol is sourced from PubChem (CID 67534063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).