N-[(1E,4Z,6Z)-2,3-dimethylocta-1,4,6-trienyl]methanimine

C11H17N — CID 143969033

IUPACN-[(1E,4Z,6Z)-2,3-dimethylocta-1,4,6-trienyl]methanimine
SMILESC=N/C=C(\C)C(C)/C=C\C=C/C
InChIInChI=1S/C11H17N/c1-5-6-7-8-10(2)11(3)9-12-4/h5-10H,4H2,1-3H3/b6-5-,8-7-,11-9+
InChIKeyMCHXJZSICZNDGY-URJNDAKMSA-N
MW163.26 g/mol
LogP3.36
Rot. Bonds4

About N-[(1E,4Z,6Z)-2,3-dimethylocta-1,4,6-trienyl]methanimine

N-[(1E,4Z,6Z)-2,3-dimethylocta-1,4,6-trienyl]methanimine (PubChem CID 143969033) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-[(1E,4Z,6Z)-2,3-dimethylocta-1,4,6-trienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,4Z,6Z)-2,3-dimethylocta-1,4,6-trienyl]methanimine
PubChem CID143969033
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-[(1E,4Z,6Z)-2,3-dimethylocta-1,4,6-trienyl]methanimine
SMILESC=N/C=C(\C)C(C)/C=C\C=C/C
InChIInChI=1S/C11H17N/c1-5-6-7-8-10(2)11(3)9-12-4/h5-10H,4H2,1-3H3/b6-5-,8-7-,11-9+
InChIKeyMCHXJZSICZNDGY-URJNDAKMSA-N
XLogP3.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.36
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

(3E,6E)-4,5-dimethylocta-1,3,6-triene
CID 12533133
N-(2,3-dimethylpenta-1,4-dienyl)ethanimine
CID 123735298
N-[(1Z,3E)-2-methylpenta-1,3-dienyl]methanimine
CID 89119181
(3Z,5Z)-2-methylhepta-3,5-dien-1-amine
CID 89062139
(3E,6E,8E)-5-methyldeca-1,3,6,8-tetraene
CID 132576789
ethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine
CID 143747590
2-methylhepta-1,3,5-triene
CID 54571604
(3Z,5Z)-hepta-3,5-dien-2-amine
CID 139386653
[(3E,5E)-hepta-3,5-dien-2-yl] acetate
CID 12755488
hexa-2,4-dienoic acid;propan-2-ol
CID 174930282
(2Z,4Z,6E,8S)-8-fluoronona-2,4,6-triene
CID 88997135
3-methyl-4-(methylideneamino)but-3-en-2-one
CID 123257729

Frequently Asked Questions

What is the IUPAC name of N-[(1E,4Z,6Z)-2,3-dimethylocta-1,4,6-trienyl]methanimine?
The IUPAC name of N-[(1E,4Z,6Z)-2,3-dimethylocta-1,4,6-trienyl]methanimine (CID 143969033) is N-[(1E,4Z,6Z)-2,3-dimethylocta-1,4,6-trienyl]methanimine.
What is the SMILES notation for N-[(1E,4Z,6Z)-2,3-dimethylocta-1,4,6-trienyl]methanimine?
The canonical SMILES for N-[(1E,4Z,6Z)-2,3-dimethylocta-1,4,6-trienyl]methanimine is C=N/C=C(\C)C(C)/C=C\C=C/C.
What is the InChIKey of N-[(1E,4Z,6Z)-2,3-dimethylocta-1,4,6-trienyl]methanimine?
The InChIKey is MCHXJZSICZNDGY-URJNDAKMSA-N. The full InChI is InChI=1S/C11H17N/c1-5-6-7-8-10(2)11(3)9-12-4/h5-10H,4H2,1-3H3/b6-5-,8-7-,11-9+.
What are the key properties of N-[(1E,4Z,6Z)-2,3-dimethylocta-1,4,6-trienyl]methanimine?
N-[(1E,4Z,6Z)-2,3-dimethylocta-1,4,6-trienyl]methanimine has a molecular weight of 163.26 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,4Z,6Z)-2,3-dimethylocta-1,4,6-trienyl]methanimine is sourced from PubChem (CID 143969033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).