(3-ethyloxiran-2-yl)methanamine

C5H11NO — CID 88955311

IUPAC(3-ethyloxiran-2-yl)methanamine
SMILESCCC1OC1CN
InChIInChI=1S/C5H11NO/c1-2-4-5(3-6)7-4/h4-5H,2-3,6H2,1H3
InChIKeyJBLDEROKGTVFAT-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.12
Rot. Bonds2

About (3-ethyloxiran-2-yl)methanamine

(3-ethyloxiran-2-yl)methanamine (PubChem CID 88955311) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is (3-ethyloxiran-2-yl)methanamine.

Molecular Properties

Compound Name(3-ethyloxiran-2-yl)methanamine
PubChem CID88955311
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name(3-ethyloxiran-2-yl)methanamine
SMILESCCC1OC1CN
InChIInChI=1S/C5H11NO/c1-2-4-5(3-6)7-4/h4-5H,2-3,6H2,1H3
InChIKeyJBLDEROKGTVFAT-UHFFFAOYSA-N
XLogP0.12
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-ethyloxiran-2-yl)methanamine?
The IUPAC name of (3-ethyloxiran-2-yl)methanamine (CID 88955311) is (3-ethyloxiran-2-yl)methanamine.
What is the SMILES notation for (3-ethyloxiran-2-yl)methanamine?
The canonical SMILES for (3-ethyloxiran-2-yl)methanamine is CCC1OC1CN.
What is the InChIKey of (3-ethyloxiran-2-yl)methanamine?
The InChIKey is JBLDEROKGTVFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-2-4-5(3-6)7-4/h4-5H,2-3,6H2,1H3.
What are the key properties of (3-ethyloxiran-2-yl)methanamine?
(3-ethyloxiran-2-yl)methanamine has a molecular weight of 101.15 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyloxiran-2-yl)methanamine is sourced from PubChem (CID 88955311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).