(2Z,4Z)-6-methyl-4-propan-2-ylhepta-2,4-dien-1-imine

C11H19N — CID 167090365

IUPAC(2Z,4Z)-6-methyl-4-propan-2-ylhepta-2,4-dien-1-imine
SMILES[H]/N=C\C=C/C(=C\C(C)C)C(C)C
InChIInChI=1S/C11H19N/c1-9(2)8-11(10(3)4)6-5-7-12/h5-10,12H,1-4H3/b6-5-,11-8+,12-7-
InChIKeyUWXLOZNDPQEDIJ-JUBMLIQQSA-N
MW165.28 g/mol
LogP3.43
Rot. Bonds4

About (2Z,4Z)-6-methyl-4-propan-2-ylhepta-2,4-dien-1-imine

(2Z,4Z)-6-methyl-4-propan-2-ylhepta-2,4-dien-1-imine (PubChem CID 167090365) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (2Z,4Z)-6-methyl-4-propan-2-ylhepta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4Z)-6-methyl-4-propan-2-ylhepta-2,4-dien-1-imine
PubChem CID167090365
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(2Z,4Z)-6-methyl-4-propan-2-ylhepta-2,4-dien-1-imine
SMILES[H]/N=C\C=C/C(=C\C(C)C)C(C)C
InChIInChI=1S/C11H19N/c1-9(2)8-11(10(3)4)6-5-7-12/h5-10,12H,1-4H3/b6-5-,11-8+,12-7-
InChIKeyUWXLOZNDPQEDIJ-JUBMLIQQSA-N
XLogP3.43
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.43
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)-4,6-dimethylhepta-2,4-dien-1-imine
CID 143263122
(Z)-4-iminobut-2-enimidoyl fluoride
CID 146392552
octa-2,6-dien-1-imine
CID 172654188
(3Z)-5-imino-N-methylpenta-1,3-dien-2-amine;molecular hydrogen
CID 143231030
2-[(Z)-3-iminoprop-1-enoxy]propane-1,1-diol
CID 166942628
(2Z)-6-methyl-4-methylidenehepta-2,6-dien-1-imine
CID 143971221
4-propan-2-ylhexa-2,4-dienylidenevanadium
CID 161094139
ethane;methane;(Z)-4-methylhex-2-en-1-imine
CID 178018442
(Z)-4-methylhept-2-en-1-imine
CID 123491020
hexa-2,4-dien-1-imine
CID 86115777
ethane;methane;(2Z)-2-propan-2-ylpenta-2,4-dien-1-imine
CID 178156046
(2E,4E)-3-methanimidoyl-6-methylhepta-2,4-dien-4-amine
CID 143255281

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-6-methyl-4-propan-2-ylhepta-2,4-dien-1-imine?
The IUPAC name of (2Z,4Z)-6-methyl-4-propan-2-ylhepta-2,4-dien-1-imine (CID 167090365) is (2Z,4Z)-6-methyl-4-propan-2-ylhepta-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4Z)-6-methyl-4-propan-2-ylhepta-2,4-dien-1-imine?
The canonical SMILES for (2Z,4Z)-6-methyl-4-propan-2-ylhepta-2,4-dien-1-imine is [H]/N=C\C=C/C(=C\C(C)C)C(C)C.
What is the InChIKey of (2Z,4Z)-6-methyl-4-propan-2-ylhepta-2,4-dien-1-imine?
The InChIKey is UWXLOZNDPQEDIJ-JUBMLIQQSA-N. The full InChI is InChI=1S/C11H19N/c1-9(2)8-11(10(3)4)6-5-7-12/h5-10,12H,1-4H3/b6-5-,11-8+,12-7-.
What are the key properties of (2Z,4Z)-6-methyl-4-propan-2-ylhepta-2,4-dien-1-imine?
(2Z,4Z)-6-methyl-4-propan-2-ylhepta-2,4-dien-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-6-methyl-4-propan-2-ylhepta-2,4-dien-1-imine is sourced from PubChem (CID 167090365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).