(2S)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one;(2R)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one

C18H36N4O2 — CID 162112178

IUPAC(2S)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one;(2R)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one
SMILESCC1C(C)N1C(=O)[C@@H](C)N(C)C.CC1C(C)N1C(=O)[C@H](C)N(C)C
InChIInChI=1S/2C9H18N2O/c2*1-6-7(2)11(6)9(12)8(3)10(4)5/h2*6-8H,1-5H3/t2*6?,7?,8-,11?/m10/s1
InChIKeyZGHIJMVZBBVGIX-BMYPRALBSA-N
MW340.51 g/mol
LogP1.11
Rot. Bonds4

About (2S)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one;(2R)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one

(2S)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one;(2R)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one (PubChem CID 162112178) has the molecular formula C18H36N4O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one;(2R)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one;(2R)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one
PubChem CID162112178
Molecular FormulaC18H36N4O2
Molecular Weight340.51 g/mol
Exact Mass340.28
IUPAC Name(2S)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one;(2R)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one
SMILESCC1C(C)N1C(=O)[C@@H](C)N(C)C.CC1C(C)N1C(=O)[C@H](C)N(C)C
InChIInChI=1S/2C9H18N2O/c2*1-6-7(2)11(6)9(12)8(3)10(4)5/h2*6-8H,1-5H3/t2*6?,7?,8-,11?/m10/s1
InChIKeyZGHIJMVZBBVGIX-BMYPRALBSA-N
XLogP1.11
TPSA46.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one;(2R)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one 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-(dimethylamino)propanoyl fluoride;hydrofluoride
CID 19898075
(2S)-2-(dimethylamino)propanoic acid;hydrochloride
CID 71350321
2-(dimethylamino)-4-methylpentan-3-one
CID 22983306
(2S)-2-(dimethylamino)-1-(oxazinan-2-yl)propan-1-one
CID 130734949
methyl (2R)-2-(dimethylamino)propanoate
CID 30030726
(2S)-N-cyclopropyl-2-(dimethylamino)propanamide
CID 127013720
3-N,3-N-dimethylbut-1-ene-2,3-diamine
CID 89045153
1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 100963844
2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-methylamino]propanoic acid
CID 104967956
2-(dimethylamino)-N-(hydroxymethyl)propanamide
CID 13328120
2-(dimethylamino)propanoic acid;N-methylmethanamine;2-methylpropanoic acid;hydrochloride
CID 174787599
1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(methyl)amino]propan-1-one
CID 60516885

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one;(2R)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one?
The IUPAC name of (2S)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one;(2R)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one (CID 162112178) is (2S)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one;(2R)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one;(2R)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one;(2R)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one is CC1C(C)N1C(=O)[C@@H](C)N(C)C.CC1C(C)N1C(=O)[C@H](C)N(C)C.
What is the InChIKey of (2S)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one;(2R)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one?
The InChIKey is ZGHIJMVZBBVGIX-BMYPRALBSA-N. The full InChI is InChI=1S/2C9H18N2O/c2*1-6-7(2)11(6)9(12)8(3)10(4)5/h2*6-8H,1-5H3/t2*6?,7?,8-,11?/m10/s1.
What are the key properties of (2S)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one;(2R)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one?
(2S)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one;(2R)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one has a molecular weight of 340.51 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one;(2R)-2-(dimethylamino)-1-(2,3-dimethylaziridin-1-yl)propan-1-one is sourced from PubChem (CID 162112178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).