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

C12H21N — CID 129194232

IUPAC4-methyl-N-(2-methylprop-1-enyl)hept-1-en-3-imine
SMILESC=C/C(=N\C=C(C)C)C(C)CCC
InChIInChI=1S/C12H21N/c1-6-8-11(5)12(7-2)13-9-10(3)4/h7,9,11H,2,6,8H2,1,3-5H3/b13-12+
InChIKeyYPXZFIOASUXSME-OUKQBFOZSA-N
MW179.31 g/mol
LogP3.97
Rot. Bonds5

About 4-methyl-N-(2-methylprop-1-enyl)hept-1-en-3-imine

4-methyl-N-(2-methylprop-1-enyl)hept-1-en-3-imine (PubChem CID 129194232) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 4-methyl-N-(2-methylprop-1-enyl)hept-1-en-3-imine.

Molecular Properties

Compound Name4-methyl-N-(2-methylprop-1-enyl)hept-1-en-3-imine
PubChem CID129194232
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name4-methyl-N-(2-methylprop-1-enyl)hept-1-en-3-imine
SMILESC=C/C(=N\C=C(C)C)C(C)CCC
InChIInChI=1S/C12H21N/c1-6-8-11(5)12(7-2)13-9-10(3)4/h7,9,11H,2,6,8H2,1,3-5H3/b13-12+
InChIKeyYPXZFIOASUXSME-OUKQBFOZSA-N
XLogP3.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.97
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 4-methyl-N-(2-methylprop-1-enyl)hept-1-en-3-imine?
The IUPAC name of 4-methyl-N-(2-methylprop-1-enyl)hept-1-en-3-imine (CID 129194232) is 4-methyl-N-(2-methylprop-1-enyl)hept-1-en-3-imine.
What is the SMILES notation for 4-methyl-N-(2-methylprop-1-enyl)hept-1-en-3-imine?
The canonical SMILES for 4-methyl-N-(2-methylprop-1-enyl)hept-1-en-3-imine is C=C/C(=N\C=C(C)C)C(C)CCC.
What is the InChIKey of 4-methyl-N-(2-methylprop-1-enyl)hept-1-en-3-imine?
The InChIKey is YPXZFIOASUXSME-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H21N/c1-6-8-11(5)12(7-2)13-9-10(3)4/h7,9,11H,2,6,8H2,1,3-5H3/b13-12+.
What are the key properties of 4-methyl-N-(2-methylprop-1-enyl)hept-1-en-3-imine?
4-methyl-N-(2-methylprop-1-enyl)hept-1-en-3-imine has a molecular weight of 179.31 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylprop-1-enyl)hept-1-en-3-imine is sourced from PubChem (CID 129194232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).