2-methyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine

C11H19N — CID 131971006

IUPAC2-methyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine
SMILESC=C(C)/C(CCC)=N/C=C(C)C
InChIInChI=1S/C11H19N/c1-6-7-11(10(4)5)12-8-9(2)3/h8H,4,6-7H2,1-3,5H3/b12-11+
InChIKeyNFKGNFAAXKDTNZ-VAWYXSNFSA-N
MW165.28 g/mol
LogP3.73
Rot. Bonds4

About 2-methyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine

2-methyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine (PubChem CID 131971006) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-methyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine.

Molecular Properties

Compound Name2-methyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine
PubChem CID131971006
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-methyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine
SMILESC=C(C)/C(CCC)=N/C=C(C)C
InChIInChI=1S/C11H19N/c1-6-7-11(10(4)5)12-8-9(2)3/h8H,4,6-7H2,1-3,5H3/b12-11+
InChIKeyNFKGNFAAXKDTNZ-VAWYXSNFSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-[(E)-2-fluoro-3-methylidenehept-1-enyl]pentan-2-imine
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N-cyclohexylidene-(2-methylpropenylamine)
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine?
The IUPAC name of 2-methyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine (CID 131971006) is 2-methyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine.
What is the SMILES notation for 2-methyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine?
The canonical SMILES for 2-methyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine is C=C(C)/C(CCC)=N/C=C(C)C.
What is the InChIKey of 2-methyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine?
The InChIKey is NFKGNFAAXKDTNZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H19N/c1-6-7-11(10(4)5)12-8-9(2)3/h8H,4,6-7H2,1-3,5H3/b12-11+.
What are the key properties of 2-methyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine?
2-methyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine has a molecular weight of 165.28 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylprop-1-enyl)hex-1-en-3-imine is sourced from PubChem (CID 131971006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).