(2Z,4Z)-4,6-dimethylhepta-2,4-dien-1-imine

C9H15N — CID 143263122

IUPAC(2Z,4Z)-4,6-dimethylhepta-2,4-dien-1-imine
SMILES[H]/N=C/C=C\C(C)=C/C(C)C
InChIInChI=1S/C9H15N/c1-8(2)7-9(3)5-4-6-10/h4-8,10H,1-3H3/b5-4-,9-7-,10-6+
InChIKeyGQUWLXHPBVRFEN-KYRMVQERSA-N
MW137.23 g/mol
LogP2.79
Rot. Bonds3

About (2Z,4Z)-4,6-dimethylhepta-2,4-dien-1-imine

(2Z,4Z)-4,6-dimethylhepta-2,4-dien-1-imine (PubChem CID 143263122) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (2Z,4Z)-4,6-dimethylhepta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4Z)-4,6-dimethylhepta-2,4-dien-1-imine
PubChem CID143263122
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(2Z,4Z)-4,6-dimethylhepta-2,4-dien-1-imine
SMILES[H]/N=C/C=C\C(C)=C/C(C)C
InChIInChI=1S/C9H15N/c1-8(2)7-9(3)5-4-6-10/h4-8,10H,1-3H3/b5-4-,9-7-,10-6+
InChIKeyGQUWLXHPBVRFEN-KYRMVQERSA-N
XLogP2.79
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.79
H-Bond Donors ≤ 51
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

(2Z,4Z)-6-methyl-4-propan-2-ylhepta-2,4-dien-1-imine
CID 167090365
molecular iodine;(3Z,5Z)-2,4,7-trimethylocta-3,5-diene
CID 158020066
5,7-dimethylocta-3,5-dien-2-one
CID 130754932
(2Z)-6-methyl-4-methylidenehepta-2,6-dien-1-imine
CID 143971221
(Z)-4-iminobut-2-enimidoyl fluoride
CID 146392552
hydron;(2E,4E,6E)-3-methylnona-2,4,6,8-tetraen-1-imine
CID 102008019
2-[(Z)-3-iminoprop-1-enoxy]propane-1,1-diol
CID 166942628
(3Z)-5-imino-N-methylpenta-1,3-dien-2-amine;molecular hydrogen
CID 143231030
(2E,4E)-4,6-dimethylhepta-2,4-dien-2-amine
CID 163732372
N-[(Z)-3-iminoprop-1-enyl]ethanimidoyl bromide
CID 130222957
ethane;(Z)-2-methylbut-2-ene-1,4-diimine
CID 142083351
ethane;methane;(Z)-4-methylhex-2-en-1-imine
CID 178018442

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-4,6-dimethylhepta-2,4-dien-1-imine?
The IUPAC name of (2Z,4Z)-4,6-dimethylhepta-2,4-dien-1-imine (CID 143263122) is (2Z,4Z)-4,6-dimethylhepta-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4Z)-4,6-dimethylhepta-2,4-dien-1-imine?
The canonical SMILES for (2Z,4Z)-4,6-dimethylhepta-2,4-dien-1-imine is [H]/N=C/C=C\C(C)=C/C(C)C.
What is the InChIKey of (2Z,4Z)-4,6-dimethylhepta-2,4-dien-1-imine?
The InChIKey is GQUWLXHPBVRFEN-KYRMVQERSA-N. The full InChI is InChI=1S/C9H15N/c1-8(2)7-9(3)5-4-6-10/h4-8,10H,1-3H3/b5-4-,9-7-,10-6+.
What are the key properties of (2Z,4Z)-4,6-dimethylhepta-2,4-dien-1-imine?
(2Z,4Z)-4,6-dimethylhepta-2,4-dien-1-imine has a molecular weight of 137.23 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-4,6-dimethylhepta-2,4-dien-1-imine is sourced from PubChem (CID 143263122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).