(4Z)-2,2-dimethylhepta-4,6-dien-3-imine

C9H15N — CID 176687043

IUPAC(4Z)-2,2-dimethylhepta-4,6-dien-3-imine
SMILES[H]/N=C(\C=C/C=C)C(C)(C)C
InChIInChI=1S/C9H15N/c1-5-6-7-8(10)9(2,3)4/h5-7,10H,1H2,2-4H3/b7-6-,10-8+
InChIKeyCTDFZMYWSGNFPS-VAAURPRASA-N
MW137.23 g/mol
LogP2.79
Rot. Bonds2

About (4Z)-2,2-dimethylhepta-4,6-dien-3-imine

(4Z)-2,2-dimethylhepta-4,6-dien-3-imine (PubChem CID 176687043) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (4Z)-2,2-dimethylhepta-4,6-dien-3-imine.

Molecular Properties

Compound Name(4Z)-2,2-dimethylhepta-4,6-dien-3-imine
PubChem CID176687043
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(4Z)-2,2-dimethylhepta-4,6-dien-3-imine
SMILES[H]/N=C(\C=C/C=C)C(C)(C)C
InChIInChI=1S/C9H15N/c1-5-6-7-8(10)9(2,3)4/h5-7,10H,1H2,2-4H3/b7-6-,10-8+
InChIKeyCTDFZMYWSGNFPS-VAAURPRASA-N
XLogP2.79
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

1-Methyl-2-imino-3,5-cyclohexadiene
CID 14398589
1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
3-Ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
2-Fluoro-4,4-dimethylcyclohepta-2,6-dien-1-imine
CID 123673350
(3E,5E)-3-ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 144000603
(5E,7Z)-5-fluoro-4-methylidenenona-1,5,7-trien-3-imine
CID 155049266
5-Dimethyl-2-cyclopentenimine
CID 129719770
4-Methylcyclohexa-2,4-dien-1-imine
CID 14398593
2-Tert-butylcyclohexa-2,4-dien-1-imine
CID 18786242
1-Cyclohexa-1,5-dien-1-ylethanimine
CID 20750402
1-Cyclopenta-2,4-dien-1-ylethanimine
CID 57004377
1-(3-Tert-butylcyclopenta-2,4-dien-1-yl)ethanimine
CID 57011604

Frequently Asked Questions

What is the IUPAC name of (4Z)-2,2-dimethylhepta-4,6-dien-3-imine?
The IUPAC name of (4Z)-2,2-dimethylhepta-4,6-dien-3-imine (CID 176687043) is (4Z)-2,2-dimethylhepta-4,6-dien-3-imine.
What is the SMILES notation for (4Z)-2,2-dimethylhepta-4,6-dien-3-imine?
The canonical SMILES for (4Z)-2,2-dimethylhepta-4,6-dien-3-imine is [H]/N=C(\C=C/C=C)C(C)(C)C.
What is the InChIKey of (4Z)-2,2-dimethylhepta-4,6-dien-3-imine?
The InChIKey is CTDFZMYWSGNFPS-VAAURPRASA-N. The full InChI is InChI=1S/C9H15N/c1-5-6-7-8(10)9(2,3)4/h5-7,10H,1H2,2-4H3/b7-6-,10-8+.
What are the key properties of (4Z)-2,2-dimethylhepta-4,6-dien-3-imine?
(4Z)-2,2-dimethylhepta-4,6-dien-3-imine has a molecular weight of 137.23 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2,2-dimethylhepta-4,6-dien-3-imine is sourced from PubChem (CID 176687043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).