3-(oxiren-2-yl)propan-1-amine

C5H9NO — CID 175142344

IUPAC3-(oxiren-2-yl)propan-1-amine
SMILESNCCCC1=CO1
InChIInChI=1S/C5H9NO/c6-3-1-2-5-4-7-5/h4H,1-3,6H2
InChIKeyLGJCTIQXQCILGM-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.60
Rot. Bonds3

About 3-(oxiren-2-yl)propan-1-amine

3-(oxiren-2-yl)propan-1-amine (PubChem CID 175142344) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 3-(oxiren-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(oxiren-2-yl)propan-1-amine
PubChem CID175142344
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name3-(oxiren-2-yl)propan-1-amine
SMILESNCCCC1=CO1
InChIInChI=1S/C5H9NO/c6-3-1-2-5-4-7-5/h4H,1-3,6H2
InChIKeyLGJCTIQXQCILGM-UHFFFAOYSA-N
XLogP0.60
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(oxiren-2-yl)propan-1-amine?
The IUPAC name of 3-(oxiren-2-yl)propan-1-amine (CID 175142344) is 3-(oxiren-2-yl)propan-1-amine.
What is the SMILES notation for 3-(oxiren-2-yl)propan-1-amine?
The canonical SMILES for 3-(oxiren-2-yl)propan-1-amine is NCCCC1=CO1.
What is the InChIKey of 3-(oxiren-2-yl)propan-1-amine?
The InChIKey is LGJCTIQXQCILGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c6-3-1-2-5-4-7-5/h4H,1-3,6H2.
What are the key properties of 3-(oxiren-2-yl)propan-1-amine?
3-(oxiren-2-yl)propan-1-amine has a molecular weight of 99.13 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxiren-2-yl)propan-1-amine is sourced from PubChem (CID 175142344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).