N-(4,7-dimethylocta-1,3-dienyl)methanimine

C11H19N — CID 91592171

IUPACN-(4,7-dimethylocta-1,3-dienyl)methanimine
SMILESC=NC=CC=C(C)CCC(C)C
InChIInChI=1S/C11H19N/c1-10(2)7-8-11(3)6-5-9-12-4/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyOMOUFFNWAKZXHK-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.58
Rot. Bonds5

About N-(4,7-dimethylocta-1,3-dienyl)methanimine

N-(4,7-dimethylocta-1,3-dienyl)methanimine (PubChem CID 91592171) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-(4,7-dimethylocta-1,3-dienyl)methanimine.

Molecular Properties

Compound NameN-(4,7-dimethylocta-1,3-dienyl)methanimine
PubChem CID91592171
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-(4,7-dimethylocta-1,3-dienyl)methanimine
SMILESC=NC=CC=C(C)CCC(C)C
InChIInChI=1S/C11H19N/c1-10(2)7-8-11(3)6-5-9-12-4/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyOMOUFFNWAKZXHK-UHFFFAOYSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.58
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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Related Compounds

N-[(1Z,6Z)-7-fluoro-2,3,6-trimethylundeca-1,6,10-trienyl]methanimine
CID 146577720
N-[(1Z,3Z)-8-fluoro-2,5,8-trimethylnona-1,3-dienyl]methanimine
CID 167004090
N,N-diethyl-3,7-dimethylocta-1,3-dienylamine
CID 85860019
(1E,3E)-N,N,3,7-tetramethylocta-1,3-dien-1-amine
CID 14543743
N,N,3,7-tetramethylocta-1,3-dien-1-amine
CID 53702615
(8E,10E)-4-methyl-1-azacycloundeca-1,8,10-triene
CID 70658421
(2Z)-N-ethenyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine
CID 88576624
N-[(1Z)-3-cyclohex-3-en-1-ylbuta-1,3-dienyl]methanimine
CID 88885338
N-[2-(2,6-dimethylcyclohepta-1,3-dien-1-yl)ethenyl]methanimine
CID 91443092
N-(5,6-dimethylnona-1,3-dienyl)prop-2-en-1-imine
CID 91475759
N-[(1Z)-3-methyl-2-(2-methylprop-2-enyl)hexa-1,3,5-trienyl]ethanimine
CID 123147700
N-(3-ethylpenta-1,3-dienyl)methanimine
CID 123289481

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethylocta-1,3-dienyl)methanimine?
The IUPAC name of N-(4,7-dimethylocta-1,3-dienyl)methanimine (CID 91592171) is N-(4,7-dimethylocta-1,3-dienyl)methanimine.
What is the SMILES notation for N-(4,7-dimethylocta-1,3-dienyl)methanimine?
The canonical SMILES for N-(4,7-dimethylocta-1,3-dienyl)methanimine is C=NC=CC=C(C)CCC(C)C.
What is the InChIKey of N-(4,7-dimethylocta-1,3-dienyl)methanimine?
The InChIKey is OMOUFFNWAKZXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-10(2)7-8-11(3)6-5-9-12-4/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of N-(4,7-dimethylocta-1,3-dienyl)methanimine?
N-(4,7-dimethylocta-1,3-dienyl)methanimine has a molecular weight of 165.28 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethylocta-1,3-dienyl)methanimine is sourced from PubChem (CID 91592171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).