N-methylpenta-2,4-dien-1-imine

C6H9N — CID 59945193

IUPACN-methylpenta-2,4-dien-1-imine
SMILESC=CC=C/C=N/C
InChIInChI=1S/C6H9N/c1-3-4-5-6-7-2/h3-6H,1H2,2H3/b5-4?,7-6+
InChIKeyIFMORUNBRIRXLF-VFABXPAXSA-N
MW95.14 g/mol
LogP1.43
Rot. Bonds2

About N-methylpenta-2,4-dien-1-imine

N-methylpenta-2,4-dien-1-imine (PubChem CID 59945193) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is N-methylpenta-2,4-dien-1-imine.

Molecular Properties

Compound NameN-methylpenta-2,4-dien-1-imine
PubChem CID59945193
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC NameN-methylpenta-2,4-dien-1-imine
SMILESC=CC=C/C=N/C
InChIInChI=1S/C6H9N/c1-3-4-5-6-7-2/h3-6H,1H2,2H3/b5-4?,7-6+
InChIKeyIFMORUNBRIRXLF-VFABXPAXSA-N
XLogP1.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methylpenta-2,4-dien-1-imine?
The IUPAC name of N-methylpenta-2,4-dien-1-imine (CID 59945193) is N-methylpenta-2,4-dien-1-imine.
What is the SMILES notation for N-methylpenta-2,4-dien-1-imine?
The canonical SMILES for N-methylpenta-2,4-dien-1-imine is C=CC=C/C=N/C.
What is the InChIKey of N-methylpenta-2,4-dien-1-imine?
The InChIKey is IFMORUNBRIRXLF-VFABXPAXSA-N. The full InChI is InChI=1S/C6H9N/c1-3-4-5-6-7-2/h3-6H,1H2,2H3/b5-4?,7-6+.
What are the key properties of N-methylpenta-2,4-dien-1-imine?
N-methylpenta-2,4-dien-1-imine has a molecular weight of 95.14 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpenta-2,4-dien-1-imine is sourced from PubChem (CID 59945193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).