N-[(2E)-3-chloro-5-methylhexa-2,4-dien-2-yl]methanimine

C8H12ClN — CID 144875620

IUPACN-[(2E)-3-chloro-5-methylhexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C(/Cl)C=C(C)C
InChIInChI=1S/C8H12ClN/c1-6(2)5-8(9)7(3)10-4/h5H,4H2,1-3H3/b8-7+
InChIKeyKFDWHYKYXUQBLZ-BQYQJAHWSA-N
MW157.64 g/mol
LogP3.12
Rot. Bonds2

About N-[(2E)-3-chloro-5-methylhexa-2,4-dien-2-yl]methanimine

N-[(2E)-3-chloro-5-methylhexa-2,4-dien-2-yl]methanimine (PubChem CID 144875620) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is N-[(2E)-3-chloro-5-methylhexa-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2E)-3-chloro-5-methylhexa-2,4-dien-2-yl]methanimine
PubChem CID144875620
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC NameN-[(2E)-3-chloro-5-methylhexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C(/Cl)C=C(C)C
InChIInChI=1S/C8H12ClN/c1-6(2)5-8(9)7(3)10-4/h5H,4H2,1-3H3/b8-7+
InChIKeyKFDWHYKYXUQBLZ-BQYQJAHWSA-N
XLogP3.12
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 ≤ 53.12
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

N-[(2E,4E)-3-chloro-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine
CID 142010067
N-[(2Z)-5-methylhexa-2,4-dien-2-yl]methanimine
CID 89899366
N-(5-chlorohexa-2,4-dien-2-yl)methanimine
CID 123399701
N-(5-methylhexa-2,4-dien-2-yl)methanimine
CID 123489897
N-(1-chloro-4-methylpenta-1,3-dienyl)methanimine
CID 123933667
N-[(3E)-4-chloro-6-methylhepta-3,5-dien-3-yl]methanimine
CID 139372683
N-[(1E)-1-chloro-4-methylpenta-1,3-dienyl]methanimine
CID 142010089
N-[(4E)-4-chloro-2-methylhexa-2,4-dien-3-yl]methanimine;ethane
CID 142053778
N-[(2Z)-4-chloropenta-2,4-dien-2-yl]methanimine
CID 143394259
N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimine;ethane
CID 144824538
N-[(2E)-3-chloro-5-methylhexa-2,4-dien-2-yl]methanimine;ethene;propane
CID 144875619
N-[(2Z,4E)-5-chlorohexa-2,4-dien-2-yl]methanimine
CID 146505996

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3-chloro-5-methylhexa-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2E)-3-chloro-5-methylhexa-2,4-dien-2-yl]methanimine (CID 144875620) is N-[(2E)-3-chloro-5-methylhexa-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2E)-3-chloro-5-methylhexa-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2E)-3-chloro-5-methylhexa-2,4-dien-2-yl]methanimine is C=N/C(C)=C(/Cl)C=C(C)C.
What is the InChIKey of N-[(2E)-3-chloro-5-methylhexa-2,4-dien-2-yl]methanimine?
The InChIKey is KFDWHYKYXUQBLZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H12ClN/c1-6(2)5-8(9)7(3)10-4/h5H,4H2,1-3H3/b8-7+.
What are the key properties of N-[(2E)-3-chloro-5-methylhexa-2,4-dien-2-yl]methanimine?
N-[(2E)-3-chloro-5-methylhexa-2,4-dien-2-yl]methanimine has a molecular weight of 157.64 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3-chloro-5-methylhexa-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 144875620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).