(3E)-3-chloro-N,5-dimethylhexa-3,5-dien-2-imine

C8H12ClN — CID 156715493

IUPAC(3E)-3-chloro-N,5-dimethylhexa-3,5-dien-2-imine
SMILESC=C(C)/C=C(Cl)\C(C)=N\C
InChIInChI=1S/C8H12ClN/c1-6(2)5-8(9)7(3)10-4/h5H,1H2,2-4H3/b8-5+,10-7+
InChIKeyHPBFIGZPMIWOMI-FQOLVZPASA-N
MW157.64 g/mol
LogP2.78
Rot. Bonds2

About (3E)-3-chloro-N,5-dimethylhexa-3,5-dien-2-imine

(3E)-3-chloro-N,5-dimethylhexa-3,5-dien-2-imine (PubChem CID 156715493) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is (3E)-3-chloro-N,5-dimethylhexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3E)-3-chloro-N,5-dimethylhexa-3,5-dien-2-imine
PubChem CID156715493
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC Name(3E)-3-chloro-N,5-dimethylhexa-3,5-dien-2-imine
SMILESC=C(C)/C=C(Cl)\C(C)=N\C
InChIInChI=1S/C8H12ClN/c1-6(2)5-8(9)7(3)10-4/h5H,1H2,2-4H3/b8-5+,10-7+
InChIKeyHPBFIGZPMIWOMI-FQOLVZPASA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.64
LogP ≤ 52.78
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)-3-chloro-2,5-dimethylhexa-1,3,5-triene;ethane
CID 142945518
3-methyliminobut-1-en-2-amine
CID 142085830
1-chloro-1-(1-chloro-3-methylbuta-1,3-dienyl)sulfonyl-3-methylbuta-1,3-diene
CID 154431203
(3Z)-2-chloro-3,5-dimethylhexa-1,3,5-triene
CID 142150750
2,4-dimethylpenta-1,3-diene;ethane
CID 144511028
2,4-dimethylpenta-1,3-diene;rhodium
CID 175138892
(2E)-3-chloro-N,4-dimethylpenta-2,4-dien-1-imine
CID 144929616
4-chloro-3,6-dimethylideneoct-4-ene-2,7-dione
CID 123443790
2-N,3-N-dimethylbutane-2,3-diimine;hydrogen peroxide;nickel
CID 20647692
4-fluoro-2-methylpenta-1,3-diene
CID 91548369
carbanide;bis(2,4-dimethylpenta-1,3-diene);ruthenium(2+)
CID 162297697
(3Z,5E)-2,5-dichloro-4-methylhepta-1,3,5-triene
CID 142202434

Frequently Asked Questions

What is the IUPAC name of (3E)-3-chloro-N,5-dimethylhexa-3,5-dien-2-imine?
The IUPAC name of (3E)-3-chloro-N,5-dimethylhexa-3,5-dien-2-imine (CID 156715493) is (3E)-3-chloro-N,5-dimethylhexa-3,5-dien-2-imine.
What is the SMILES notation for (3E)-3-chloro-N,5-dimethylhexa-3,5-dien-2-imine?
The canonical SMILES for (3E)-3-chloro-N,5-dimethylhexa-3,5-dien-2-imine is C=C(C)/C=C(Cl)\C(C)=N\C.
What is the InChIKey of (3E)-3-chloro-N,5-dimethylhexa-3,5-dien-2-imine?
The InChIKey is HPBFIGZPMIWOMI-FQOLVZPASA-N. The full InChI is InChI=1S/C8H12ClN/c1-6(2)5-8(9)7(3)10-4/h5H,1H2,2-4H3/b8-5+,10-7+.
What are the key properties of (3E)-3-chloro-N,5-dimethylhexa-3,5-dien-2-imine?
(3E)-3-chloro-N,5-dimethylhexa-3,5-dien-2-imine has a molecular weight of 157.64 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-chloro-N,5-dimethylhexa-3,5-dien-2-imine is sourced from PubChem (CID 156715493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).