1-(2-methylpropyl)aziridine

C6H13N — CID 22661587

IUPAC1-(2-methylpropyl)aziridine
SMILESCC(C)CN1CC1
InChIInChI=1S/C6H13N/c1-6(2)5-7-3-4-7/h6H,3-5H2,1-2H3
InChIKeyHIPFUWHNBHKOQN-UHFFFAOYSA-N
MW99.18 g/mol
LogP0.96
Rot. Bonds2

About 1-(2-methylpropyl)aziridine

1-(2-methylpropyl)aziridine (PubChem CID 22661587) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is 1-(2-methylpropyl)aziridine.

Molecular Properties

Compound Name1-(2-methylpropyl)aziridine
PubChem CID22661587
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name1-(2-methylpropyl)aziridine
SMILESCC(C)CN1CC1
InChIInChI=1S/C6H13N/c1-6(2)5-7-3-4-7/h6H,3-5H2,1-2H3
InChIKeyHIPFUWHNBHKOQN-UHFFFAOYSA-N
XLogP0.96
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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-(2-methylpropyl)aziridine?
The IUPAC name of 1-(2-methylpropyl)aziridine (CID 22661587) is 1-(2-methylpropyl)aziridine.
What is the SMILES notation for 1-(2-methylpropyl)aziridine?
The canonical SMILES for 1-(2-methylpropyl)aziridine is CC(C)CN1CC1.
What is the InChIKey of 1-(2-methylpropyl)aziridine?
The InChIKey is HIPFUWHNBHKOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-6(2)5-7-3-4-7/h6H,3-5H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)aziridine?
1-(2-methylpropyl)aziridine has a molecular weight of 99.18 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)aziridine is sourced from PubChem (CID 22661587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).