2-(2-methylpropyl)aziridine

C6H13N — CID 12695795

IUPAC2-(2-methylpropyl)aziridine
SMILESCC(C)CC1CN1
InChIInChI=1S/C6H13N/c1-5(2)3-6-4-7-6/h5-7H,3-4H2,1-2H3
InChIKeyKGHFQEDPQOKCSJ-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.00
Rot. Bonds2

About 2-(2-methylpropyl)aziridine

2-(2-methylpropyl)aziridine (PubChem CID 12695795) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is 2-(2-methylpropyl)aziridine.

Molecular Properties

Compound Name2-(2-methylpropyl)aziridine
PubChem CID12695795
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name2-(2-methylpropyl)aziridine
SMILESCC(C)CC1CN1
InChIInChI=1S/C6H13N/c1-5(2)3-6-4-7-6/h5-7H,3-4H2,1-2H3
InChIKeyKGHFQEDPQOKCSJ-UHFFFAOYSA-N
XLogP1.00
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)aziridine?
The IUPAC name of 2-(2-methylpropyl)aziridine (CID 12695795) is 2-(2-methylpropyl)aziridine.
What is the SMILES notation for 2-(2-methylpropyl)aziridine?
The canonical SMILES for 2-(2-methylpropyl)aziridine is CC(C)CC1CN1.
What is the InChIKey of 2-(2-methylpropyl)aziridine?
The InChIKey is KGHFQEDPQOKCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-5(2)3-6-4-7-6/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)aziridine?
2-(2-methylpropyl)aziridine has a molecular weight of 99.18 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)aziridine is sourced from PubChem (CID 12695795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).