1-(2,3-dimethylaziridin-2-yl)-2-methylpropan-2-amine

C8H18N2 — CID 134333403

IUPAC1-(2,3-dimethylaziridin-2-yl)-2-methylpropan-2-amine
SMILESCC1NC1(C)CC(C)(C)N
InChIInChI=1S/C8H18N2/c1-6-8(4,10-6)5-7(2,3)9/h6,10H,5,9H2,1-4H3
InChIKeyXJPQIVWOGKAHSX-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.86
Rot. Bonds2

About 1-(2,3-dimethylaziridin-2-yl)-2-methylpropan-2-amine

1-(2,3-dimethylaziridin-2-yl)-2-methylpropan-2-amine (PubChem CID 134333403) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-(2,3-dimethylaziridin-2-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2,3-dimethylaziridin-2-yl)-2-methylpropan-2-amine
PubChem CID134333403
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-(2,3-dimethylaziridin-2-yl)-2-methylpropan-2-amine
SMILESCC1NC1(C)CC(C)(C)N
InChIInChI=1S/C8H18N2/c1-6-8(4,10-6)5-7(2,3)9/h6,10H,5,9H2,1-4H3
InChIKeyXJPQIVWOGKAHSX-UHFFFAOYSA-N
XLogP0.86
TPSA47.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,3-dimethylaziridin-2-yl)-2-methylpropan-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

2,4-Pentanediamine, N2-cyclohexyl-4-methyl-
CID 109461
1-Bis(ethyl)spermine
CID 129775239
Diethyldiisopropylamine
CID 129867302
2-(2,3-Dimethylaziridin-2-yl)-2,3-dimethylaziridine
CID 134855960
3-N-ethyl-2-fluoro-2-propylbutane-1,3-diamine
CID 112567861
2,3-Di(propan-2-yl)aziridine
CID 12632529
(2R,3S)-2,3-di(propan-2-yl)aziridine
CID 12632530
(2R,3R)-2,3-di(propan-2-yl)aziridine
CID 12632531
2-methyl-2-N-propylpentane-2,4-diamine
CID 12639044
2-methyl-2-N-propan-2-ylpentane-2,4-diamine
CID 12639045
2-N-butyl-2-methylpentane-2,4-diamine
CID 12639046
2-N-butan-2-yl-2-methylpentane-2,4-diamine
CID 12639048

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylaziridin-2-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(2,3-dimethylaziridin-2-yl)-2-methylpropan-2-amine (CID 134333403) is 1-(2,3-dimethylaziridin-2-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2,3-dimethylaziridin-2-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2,3-dimethylaziridin-2-yl)-2-methylpropan-2-amine is CC1NC1(C)CC(C)(C)N.
What is the InChIKey of 1-(2,3-dimethylaziridin-2-yl)-2-methylpropan-2-amine?
The InChIKey is XJPQIVWOGKAHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-6-8(4,10-6)5-7(2,3)9/h6,10H,5,9H2,1-4H3.
What are the key properties of 1-(2,3-dimethylaziridin-2-yl)-2-methylpropan-2-amine?
1-(2,3-dimethylaziridin-2-yl)-2-methylpropan-2-amine has a molecular weight of 142.25 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylaziridin-2-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 134333403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).