(2S)-2-methyl-2-propan-2-ylaziridine

C6H13N — CID 148936760

IUPAC(2S)-2-methyl-2-propan-2-ylaziridine
SMILESCC(C)[C@@]1(C)CN1
InChIInChI=1S/C6H13N/c1-5(2)6(3)4-7-6/h5,7H,4H2,1-3H3/t6-/m1/s1
InChIKeyPNCHUQJLXDQHAO-ZCFIWIBFSA-N
MW99.18 g/mol
LogP1.00
Rot. Bonds1

About (2S)-2-methyl-2-propan-2-ylaziridine

(2S)-2-methyl-2-propan-2-ylaziridine (PubChem CID 148936760) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is (2S)-2-methyl-2-propan-2-ylaziridine.

Molecular Properties

Compound Name(2S)-2-methyl-2-propan-2-ylaziridine
PubChem CID148936760
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name(2S)-2-methyl-2-propan-2-ylaziridine
SMILESCC(C)[C@@]1(C)CN1
InChIInChI=1S/C6H13N/c1-5(2)6(3)4-7-6/h5,7H,4H2,1-3H3/t6-/m1/s1
InChIKeyPNCHUQJLXDQHAO-ZCFIWIBFSA-N
XLogP1.00
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S)-2-methyl-2-propan-2-ylaziridine 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

(2R)-2-(propan-2-yl)aziridine
CID 101190153
(2S)-2-(propan-2-yl)aziridine
CID 12580932
2-(Propan-2-yl)aziridine
CID 12580931
2-Tert-butyl-2-(fluoromethyl)aziridine
CID 101612887
2-[(1R)-1-fluoroethyl]-2-methylaziridine
CID 166967597
2,2-Dimethyl-3-propan-2-ylaziridine
CID 13865656
2-Ethyl-2-methylaziridine
CID 55286004
2-Methyl-2-propylaziridine
CID 55287682
2-Methyl-2-propan-2-ylaziridine
CID 55288429
2,2-Di(propan-2-yl)aziridine
CID 58055901
2,2-Diethylaziridine
CID 90891909
5-Methyl-1-azaspiro[2.2]pentane
CID 123174806

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-propan-2-ylaziridine?
The IUPAC name of (2S)-2-methyl-2-propan-2-ylaziridine (CID 148936760) is (2S)-2-methyl-2-propan-2-ylaziridine.
What is the SMILES notation for (2S)-2-methyl-2-propan-2-ylaziridine?
The canonical SMILES for (2S)-2-methyl-2-propan-2-ylaziridine is CC(C)[C@@]1(C)CN1.
What is the InChIKey of (2S)-2-methyl-2-propan-2-ylaziridine?
The InChIKey is PNCHUQJLXDQHAO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H13N/c1-5(2)6(3)4-7-6/h5,7H,4H2,1-3H3/t6-/m1/s1.
What are the key properties of (2S)-2-methyl-2-propan-2-ylaziridine?
(2S)-2-methyl-2-propan-2-ylaziridine has a molecular weight of 99.18 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-propan-2-ylaziridine is sourced from PubChem (CID 148936760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).