1-cyclopropyl-N-methylbutan-2-imine

C8H15N — CID 91564052

IUPAC1-cyclopropyl-N-methylbutan-2-imine
SMILESCC/C(CC1CC1)=N\C
InChIInChI=1S/C8H15N/c1-3-8(9-2)6-7-4-5-7/h7H,3-6H2,1-2H3/b9-8+
InChIKeyUUZTXWWUXXGQBE-CMDGGOBGSA-N
MW125.21 g/mol
LogP2.27
Rot. Bonds3

About 1-cyclopropyl-N-methylbutan-2-imine

1-cyclopropyl-N-methylbutan-2-imine (PubChem CID 91564052) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 1-cyclopropyl-N-methylbutan-2-imine.

Molecular Properties

Compound Name1-cyclopropyl-N-methylbutan-2-imine
PubChem CID91564052
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name1-cyclopropyl-N-methylbutan-2-imine
SMILESCC/C(CC1CC1)=N\C
InChIInChI=1S/C8H15N/c1-3-8(9-2)6-7-4-5-7/h7H,3-6H2,1-2H3/b9-8+
InChIKeyUUZTXWWUXXGQBE-CMDGGOBGSA-N
XLogP2.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methylbutan-2-imine?
The IUPAC name of 1-cyclopropyl-N-methylbutan-2-imine (CID 91564052) is 1-cyclopropyl-N-methylbutan-2-imine.
What is the SMILES notation for 1-cyclopropyl-N-methylbutan-2-imine?
The canonical SMILES for 1-cyclopropyl-N-methylbutan-2-imine is CC/C(CC1CC1)=N\C.
What is the InChIKey of 1-cyclopropyl-N-methylbutan-2-imine?
The InChIKey is UUZTXWWUXXGQBE-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H15N/c1-3-8(9-2)6-7-4-5-7/h7H,3-6H2,1-2H3/b9-8+.
What are the key properties of 1-cyclopropyl-N-methylbutan-2-imine?
1-cyclopropyl-N-methylbutan-2-imine has a molecular weight of 125.21 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methylbutan-2-imine is sourced from PubChem (CID 91564052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).