(1S)-2-methyl-1-[(3R)-3-methyloxiran-2-yl]prop-2-en-1-amine

C7H13NO — CID 166691649

IUPAC(1S)-2-methyl-1-[(3R)-3-methyloxiran-2-yl]prop-2-en-1-amine
SMILESC=C(C)[C@H](N)C1O[C@@H]1C
InChIInChI=1S/C7H13NO/c1-4(2)6(8)7-5(3)9-7/h5-7H,1,8H2,2-3H3/t5-,6+,7?/m1/s1
InChIKeyQSNNAHIJWMOTKO-JEAXJGTLSA-N
MW127.19 g/mol
LogP0.68
Rot. Bonds2

About (1S)-2-methyl-1-[(3R)-3-methyloxiran-2-yl]prop-2-en-1-amine

(1S)-2-methyl-1-[(3R)-3-methyloxiran-2-yl]prop-2-en-1-amine (PubChem CID 166691649) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (1S)-2-methyl-1-[(3R)-3-methyloxiran-2-yl]prop-2-en-1-amine.

Molecular Properties

Compound Name(1S)-2-methyl-1-[(3R)-3-methyloxiran-2-yl]prop-2-en-1-amine
PubChem CID166691649
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(1S)-2-methyl-1-[(3R)-3-methyloxiran-2-yl]prop-2-en-1-amine
SMILESC=C(C)[C@H](N)C1O[C@@H]1C
InChIInChI=1S/C7H13NO/c1-4(2)6(8)7-5(3)9-7/h5-7H,1,8H2,2-3H3/t5-,6+,7?/m1/s1
InChIKeyQSNNAHIJWMOTKO-JEAXJGTLSA-N
XLogP0.68
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S)-2-methyl-1-[(3R)-3-methyloxiran-2-yl]prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-[(3R)-3-methyloxiran-2-yl]prop-2-en-1-amine?
The IUPAC name of (1S)-2-methyl-1-[(3R)-3-methyloxiran-2-yl]prop-2-en-1-amine (CID 166691649) is (1S)-2-methyl-1-[(3R)-3-methyloxiran-2-yl]prop-2-en-1-amine.
What is the SMILES notation for (1S)-2-methyl-1-[(3R)-3-methyloxiran-2-yl]prop-2-en-1-amine?
The canonical SMILES for (1S)-2-methyl-1-[(3R)-3-methyloxiran-2-yl]prop-2-en-1-amine is C=C(C)[C@H](N)C1O[C@@H]1C.
What is the InChIKey of (1S)-2-methyl-1-[(3R)-3-methyloxiran-2-yl]prop-2-en-1-amine?
The InChIKey is QSNNAHIJWMOTKO-JEAXJGTLSA-N. The full InChI is InChI=1S/C7H13NO/c1-4(2)6(8)7-5(3)9-7/h5-7H,1,8H2,2-3H3/t5-,6+,7?/m1/s1.
What are the key properties of (1S)-2-methyl-1-[(3R)-3-methyloxiran-2-yl]prop-2-en-1-amine?
(1S)-2-methyl-1-[(3R)-3-methyloxiran-2-yl]prop-2-en-1-amine has a molecular weight of 127.19 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-[(3R)-3-methyloxiran-2-yl]prop-2-en-1-amine is sourced from PubChem (CID 166691649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).