1-methyl-2-(2-methylcyclopropyl)aziridine

C7H13N — CID 123954185

IUPAC1-methyl-2-(2-methylcyclopropyl)aziridine
SMILESCC1CC1C1CN1C
InChIInChI=1S/C7H13N/c1-5-3-6(5)7-4-8(7)2/h5-7H,3-4H2,1-2H3
InChIKeyNQGPXGXRWZOEQN-UHFFFAOYSA-N
MW111.19 g/mol
LogP0.96
Rot. Bonds1

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

1-methyl-2-(2-methylcyclopropyl)aziridine (PubChem CID 123954185) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 1-methyl-2-(2-methylcyclopropyl)aziridine.

Molecular Properties

Compound Name1-methyl-2-(2-methylcyclopropyl)aziridine
PubChem CID123954185
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name1-methyl-2-(2-methylcyclopropyl)aziridine
SMILESCC1CC1C1CN1C
InChIInChI=1S/C7H13N/c1-5-3-6(5)7-4-8(7)2/h5-7H,3-4H2,1-2H3
InChIKeyNQGPXGXRWZOEQN-UHFFFAOYSA-N
XLogP0.96
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 50.96
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

1-Methyl-2-(2-methylpropyl)aziridine
CID 12695798
1-Methyl-1-[(2-methylcyclopropyl)methyl]-2-(2-methylpropyl)aziridin-1-ium
CID 90690652
2-Butan-2-yl-1,3-dimethylaziridine
CID 90886206
2-(2-Methylbutyl)-1-propan-2-ylaziridine
CID 91475367
2,3-Dimethyl-1-[1-(2-methylcyclopropyl)ethyl]aziridine
CID 123280100
2-Methyl-1-[2-(2-methyl-3-propan-2-ylcyclopropyl)propyl]aziridine
CID 123294460
2-(2,2-Dimethylcyclopropyl)-1-methylaziridine
CID 123427135
1-(2-Ethylpentyl)-2-methylaziridine
CID 123441048
2-Methyl-1-(2-methylcyclopropyl)-1-(4-methylhexan-3-yl)aziridin-1-ium
CID 123512732
2-Hexan-2-yl-1-methylaziridine
CID 123674057
2-Cyclopropyl-3-methyl-1-(2-methylbutyl)aziridine
CID 123745640
1-[2-(2-Methylcyclopropyl)ethyl]aziridine
CID 123773146

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylcyclopropyl)aziridine?
The IUPAC name of 1-methyl-2-(2-methylcyclopropyl)aziridine (CID 123954185) is 1-methyl-2-(2-methylcyclopropyl)aziridine.
What is the SMILES notation for 1-methyl-2-(2-methylcyclopropyl)aziridine?
The canonical SMILES for 1-methyl-2-(2-methylcyclopropyl)aziridine is CC1CC1C1CN1C.
What is the InChIKey of 1-methyl-2-(2-methylcyclopropyl)aziridine?
The InChIKey is NQGPXGXRWZOEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-5-3-6(5)7-4-8(7)2/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-methyl-2-(2-methylcyclopropyl)aziridine?
1-methyl-2-(2-methylcyclopropyl)aziridine has a molecular weight of 111.19 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylcyclopropyl)aziridine is sourced from PubChem (CID 123954185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).