(2Z,4Z)-4-chloro-2-methylhepta-2,4-dien-1-imine

C8H12ClN — CID 171810963

IUPAC(2Z,4Z)-4-chloro-2-methylhepta-2,4-dien-1-imine
SMILES[H]/N=C/C(C)=C\C(Cl)=C\CC
InChIInChI=1S/C8H12ClN/c1-3-4-8(9)5-7(2)6-10/h4-6,10H,3H2,1-2H3/b7-5-,8-4-,10-6+
InChIKeyNCLVIAJKXQFRAT-VRFDFXKPSA-N
MW157.64 g/mol
LogP3.11
Rot. Bonds3

About (2Z,4Z)-4-chloro-2-methylhepta-2,4-dien-1-imine

(2Z,4Z)-4-chloro-2-methylhepta-2,4-dien-1-imine (PubChem CID 171810963) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is (2Z,4Z)-4-chloro-2-methylhepta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4Z)-4-chloro-2-methylhepta-2,4-dien-1-imine
PubChem CID171810963
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC Name(2Z,4Z)-4-chloro-2-methylhepta-2,4-dien-1-imine
SMILES[H]/N=C/C(C)=C\C(Cl)=C\CC
InChIInChI=1S/C8H12ClN/c1-3-4-8(9)5-7(2)6-10/h4-6,10H,3H2,1-2H3/b7-5-,8-4-,10-6+
InChIKeyNCLVIAJKXQFRAT-VRFDFXKPSA-N
XLogP3.11
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.64
LogP ≤ 53.11
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,4E)-2-ethyl-4-fluorohexa-2,4-dien-1-imine
CID 118569105
(2Z,4Z)-2-ethenyl-5-fluoro-4-methylpenta-2,4-dien-1-imine
CID 164068110
4-Methylnona-2,4,6,8-tetraen-1-imine
CID 91326389
3,7-Dimethylocta-2,4,6-trien-1-imine
CID 73829488
(2Z)-2,4-dimethylpenta-2,4-dien-1-imine
CID 88244360
(2Z,4E)-3,6-dimethyl-2,4-bis(prop-1-en-2-yl)hepta-2,4,6-trien-1-imine
CID 88881826
(E)-3-chloro-N-methyl-2-methylidenepent-3-en-1-imine
CID 88971032
(E,2Z)-2-[(E)-3-chloroprop-2-enylidene]hept-3-en-1-imine
CID 89085027
(2Z,5Z)-4-methylidenehepta-2,5-dien-1-imine
CID 89086362
(3E,5Z)-3-methylhepta-3,5-dien-1-imine
CID 89097622
(2Z,4Z)-2,3-dimethylhexa-2,4-dien-1-imine
CID 89179435
(2E,3Z,5Z)-2-ethylidenehepta-3,5-dien-1-imine
CID 89195128

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-4-chloro-2-methylhepta-2,4-dien-1-imine?
The IUPAC name of (2Z,4Z)-4-chloro-2-methylhepta-2,4-dien-1-imine (CID 171810963) is (2Z,4Z)-4-chloro-2-methylhepta-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4Z)-4-chloro-2-methylhepta-2,4-dien-1-imine?
The canonical SMILES for (2Z,4Z)-4-chloro-2-methylhepta-2,4-dien-1-imine is [H]/N=C/C(C)=C\C(Cl)=C\CC.
What is the InChIKey of (2Z,4Z)-4-chloro-2-methylhepta-2,4-dien-1-imine?
The InChIKey is NCLVIAJKXQFRAT-VRFDFXKPSA-N. The full InChI is InChI=1S/C8H12ClN/c1-3-4-8(9)5-7(2)6-10/h4-6,10H,3H2,1-2H3/b7-5-,8-4-,10-6+.
What are the key properties of (2Z,4Z)-4-chloro-2-methylhepta-2,4-dien-1-imine?
(2Z,4Z)-4-chloro-2-methylhepta-2,4-dien-1-imine has a molecular weight of 157.64 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-4-chloro-2-methylhepta-2,4-dien-1-imine is sourced from PubChem (CID 171810963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).