1-methyl-2-(2-methylpropyl)aziridine

C7H15N — CID 12695798

IUPAC1-methyl-2-(2-methylpropyl)aziridine
SMILESCC(C)CC1CN1C
InChIInChI=1S/C7H15N/c1-6(2)4-7-5-8(7)3/h6-7H,4-5H2,1-3H3
InChIKeyBSLKNEROLIQYLE-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.35
Rot. Bonds2

About 1-methyl-2-(2-methylpropyl)aziridine

1-methyl-2-(2-methylpropyl)aziridine (PubChem CID 12695798) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is 1-methyl-2-(2-methylpropyl)aziridine.

Molecular Properties

Compound Name1-methyl-2-(2-methylpropyl)aziridine
PubChem CID12695798
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name1-methyl-2-(2-methylpropyl)aziridine
SMILESCC(C)CC1CN1C
InChIInChI=1S/C7H15N/c1-6(2)4-7-5-8(7)3/h6-7H,4-5H2,1-3H3
InChIKeyBSLKNEROLIQYLE-UHFFFAOYSA-N
XLogP1.35
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-1,1,2-Trimethyl-3-(propan-2-yl)aziridin-1-ium iodide
CID 24189533
1-Ethyl-2-isopropyl-3-methylaziridine
CID 287953
1,2-Diisopropyl-3-methylaziridine
CID 287980
Aziridine, 2-isopropyl-1,3-dimethyl-, trans-
CID 535823
2-(2-Fluoro-2-methylpropyl)-1-methylaziridine
CID 143474478
1-Hexyl-2-methyl-3-propan-2-ylaziridine
CID 287976
(2R,3R)-1,1,2-Trimethyl-3-(propan-2-yl)aziridin-1-ium iodide
CID 24189535
1,1,2-Trimethyl-3-propan-2-ylaziridin-1-ium
CID 417503
1-Methyl-2-propan-2-ylaziridine
CID 12695793
(2S)-1-methyl-2-propan-2-ylaziridine
CID 12695794
2-ethyl-N,N-dimethylcyclopropan-1-amine
CID 19347525
1-Methyl-2-propylaziridine
CID 20387223

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylpropyl)aziridine?
The IUPAC name of 1-methyl-2-(2-methylpropyl)aziridine (CID 12695798) is 1-methyl-2-(2-methylpropyl)aziridine.
What is the SMILES notation for 1-methyl-2-(2-methylpropyl)aziridine?
The canonical SMILES for 1-methyl-2-(2-methylpropyl)aziridine is CC(C)CC1CN1C.
What is the InChIKey of 1-methyl-2-(2-methylpropyl)aziridine?
The InChIKey is BSLKNEROLIQYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-6(2)4-7-5-8(7)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-methyl-2-(2-methylpropyl)aziridine?
1-methyl-2-(2-methylpropyl)aziridine has a molecular weight of 113.20 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylpropyl)aziridine is sourced from PubChem (CID 12695798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).