2-(aminomethyl)-3-methyloxiran-2-amine

C4H10N2O — CID 163594163

IUPAC2-(aminomethyl)-3-methyloxiran-2-amine
SMILESCC1OC1(N)CN
InChIInChI=1S/C4H10N2O/c1-3-4(6,2-5)7-3/h3H,2,5-6H2,1H3
InChIKeyGRZFLWXDNIBDSN-UHFFFAOYSA-N
MW102.14 g/mol
LogP-0.98
Rot. Bonds1

About 2-(aminomethyl)-3-methyloxiran-2-amine

2-(aminomethyl)-3-methyloxiran-2-amine (PubChem CID 163594163) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyloxiran-2-amine.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyloxiran-2-amine
PubChem CID163594163
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Name2-(aminomethyl)-3-methyloxiran-2-amine
SMILESCC1OC1(N)CN
InChIInChI=1S/C4H10N2O/c1-3-4(6,2-5)7-3/h3H,2,5-6H2,1H3
InChIKeyGRZFLWXDNIBDSN-UHFFFAOYSA-N
XLogP-0.98
TPSA64.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-(aminomethyl)-3-methyloxiran-2-amine?
The IUPAC name of 2-(aminomethyl)-3-methyloxiran-2-amine (CID 163594163) is 2-(aminomethyl)-3-methyloxiran-2-amine.
What is the SMILES notation for 2-(aminomethyl)-3-methyloxiran-2-amine?
The canonical SMILES for 2-(aminomethyl)-3-methyloxiran-2-amine is CC1OC1(N)CN.
What is the InChIKey of 2-(aminomethyl)-3-methyloxiran-2-amine?
The InChIKey is GRZFLWXDNIBDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O/c1-3-4(6,2-5)7-3/h3H,2,5-6H2,1H3.
What are the key properties of 2-(aminomethyl)-3-methyloxiran-2-amine?
2-(aminomethyl)-3-methyloxiran-2-amine has a molecular weight of 102.14 g/mol, XLogP of -0.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyloxiran-2-amine is sourced from PubChem (CID 163594163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).