1,2-dimethyl-3-propan-2-ylaziridine

C7H15N — CID 535823

IUPAC1,2-dimethyl-3-propan-2-ylaziridine
SMILESCC(C)C1C(C)N1C
InChIInChI=1S/C7H15N/c1-5(2)7-6(3)8(7)4/h5-7H,1-4H3
InChIKeyWCNLPGRSKBZWNC-UHFFFAOYSA-N
MW113.20 g/mol
LogP1.34
Rot. Bonds1

About 1,2-dimethyl-3-propan-2-ylaziridine

1,2-dimethyl-3-propan-2-ylaziridine (PubChem CID 535823) has the molecular formula C7H15N and a molecular weight of 113.20 g/mol. Its IUPAC name is 1,2-dimethyl-3-propan-2-ylaziridine.

Molecular Properties

Compound Name1,2-dimethyl-3-propan-2-ylaziridine
PubChem CID535823
Molecular FormulaC7H15N
Molecular Weight113.20 g/mol
Exact Mass113.12
IUPAC Name1,2-dimethyl-3-propan-2-ylaziridine
SMILESCC(C)C1C(C)N1C
InChIInChI=1S/C7H15N/c1-5(2)7-6(3)8(7)4/h5-7H,1-4H3
InChIKeyWCNLPGRSKBZWNC-UHFFFAOYSA-N
XLogP1.34
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.20
LogP ≤ 51.34
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-dimethyl-3-propan-2-ylaziridine?
The IUPAC name of 1,2-dimethyl-3-propan-2-ylaziridine (CID 535823) is 1,2-dimethyl-3-propan-2-ylaziridine.
What is the SMILES notation for 1,2-dimethyl-3-propan-2-ylaziridine?
The canonical SMILES for 1,2-dimethyl-3-propan-2-ylaziridine is CC(C)C1C(C)N1C.
What is the InChIKey of 1,2-dimethyl-3-propan-2-ylaziridine?
The InChIKey is WCNLPGRSKBZWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N/c1-5(2)7-6(3)8(7)4/h5-7H,1-4H3.
What are the key properties of 1,2-dimethyl-3-propan-2-ylaziridine?
1,2-dimethyl-3-propan-2-ylaziridine has a molecular weight of 113.20 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-propan-2-ylaziridine is sourced from PubChem (CID 535823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).