1-methyl-2-propan-2-ylaziridine

C6H13N — CID 12695793

IUPAC1-methyl-2-propan-2-ylaziridine
SMILESCC(C)C1CN1C
InChIInChI=1S/C6H13N/c1-5(2)6-4-7(6)3/h5-6H,4H2,1-3H3
InChIKeyAZQNAXVWWGNZRQ-UHFFFAOYSA-N
MW99.18 g/mol
LogP0.96
Rot. Bonds1

About 1-methyl-2-propan-2-ylaziridine

1-methyl-2-propan-2-ylaziridine (PubChem CID 12695793) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is 1-methyl-2-propan-2-ylaziridine.

Molecular Properties

Compound Name1-methyl-2-propan-2-ylaziridine
PubChem CID12695793
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name1-methyl-2-propan-2-ylaziridine
SMILESCC(C)C1CN1C
InChIInChI=1S/C6H13N/c1-5(2)6-4-7(6)3/h5-6H,4H2,1-3H3
InChIKeyAZQNAXVWWGNZRQ-UHFFFAOYSA-N
XLogP0.96
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-ylaziridine?
The IUPAC name of 1-methyl-2-propan-2-ylaziridine (CID 12695793) is 1-methyl-2-propan-2-ylaziridine.
What is the SMILES notation for 1-methyl-2-propan-2-ylaziridine?
The canonical SMILES for 1-methyl-2-propan-2-ylaziridine is CC(C)C1CN1C.
What is the InChIKey of 1-methyl-2-propan-2-ylaziridine?
The InChIKey is AZQNAXVWWGNZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-5(2)6-4-7(6)3/h5-6H,4H2,1-3H3.
What are the key properties of 1-methyl-2-propan-2-ylaziridine?
1-methyl-2-propan-2-ylaziridine has a molecular weight of 99.18 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-propan-2-ylaziridine is sourced from PubChem (CID 12695793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).