N-[(1Z,3E)-4-chloro-2,3-dimethylpenta-1,3-dienyl]methanimine

C8H12ClN — CID 146563499

IUPACN-[(1Z,3E)-4-chloro-2,3-dimethylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(C)\C(C)=C(/C)Cl
InChIInChI=1S/C8H12ClN/c1-6(5-10-4)7(2)8(3)9/h5H,4H2,1-3H3/b6-5-,8-7+
InChIKeyYNCCRIHOGCXKNW-IGTJQSIKSA-N
MW157.64 g/mol
LogP3.12
Rot. Bonds2

About N-[(1Z,3E)-4-chloro-2,3-dimethylpenta-1,3-dienyl]methanimine

N-[(1Z,3E)-4-chloro-2,3-dimethylpenta-1,3-dienyl]methanimine (PubChem CID 146563499) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is N-[(1Z,3E)-4-chloro-2,3-dimethylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-4-chloro-2,3-dimethylpenta-1,3-dienyl]methanimine
PubChem CID146563499
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC NameN-[(1Z,3E)-4-chloro-2,3-dimethylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C(C)\C(C)=C(/C)Cl
InChIInChI=1S/C8H12ClN/c1-6(5-10-4)7(2)8(3)9/h5H,4H2,1-3H3/b6-5-,8-7+
InChIKeyYNCCRIHOGCXKNW-IGTJQSIKSA-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-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine
CID 129106503
N-[(1Z,3E)-5-fluoro-2,4-dimethylpenta-1,3-dienyl]methanimine
CID 171633095
N-[(1Z,3E)-3-ethenylhexa-1,3-dienyl]methanimine
CID 88863922
N-[(1Z,4E)-3-methylidenehexa-1,4-dienyl]methanimine
CID 89276769
N-[(1Z,3E)-4-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]methanimine
CID 89502554
N-[(1Z,3Z)-2-ethylpenta-1,3-dienyl]methanimine
CID 90155529
N-[(1E,3E,4Z)-3-ethylidenehexa-1,4-dienyl]methanimine
CID 90160249
N-(2,3-dimethylpenta-1,3-dienyl)methanimine
CID 91455800
N-[(1Z)-2,4-dimethylpenta-1,3-dienyl]methanimine
CID 118033222
N-[(1Z,3Z)-3-ethenyl-2-[(Z)-prop-1-enyl]penta-1,3-dienyl]methanimine
CID 118675402
N-(3-propan-2-ylidenehepta-1,4,6-trienyl)methanimine
CID 123157288
N-[2,3-bis(ethenyl)penta-1,3-dienyl]methanimine
CID 123301971

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3E)-4-chloro-2,3-dimethylpenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3E)-4-chloro-2,3-dimethylpenta-1,3-dienyl]methanimine (CID 146563499) is N-[(1Z,3E)-4-chloro-2,3-dimethylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3E)-4-chloro-2,3-dimethylpenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3E)-4-chloro-2,3-dimethylpenta-1,3-dienyl]methanimine is C=N/C=C(C)\C(C)=C(/C)Cl.
What is the InChIKey of N-[(1Z,3E)-4-chloro-2,3-dimethylpenta-1,3-dienyl]methanimine?
The InChIKey is YNCCRIHOGCXKNW-IGTJQSIKSA-N. The full InChI is InChI=1S/C8H12ClN/c1-6(5-10-4)7(2)8(3)9/h5H,4H2,1-3H3/b6-5-,8-7+.
What are the key properties of N-[(1Z,3E)-4-chloro-2,3-dimethylpenta-1,3-dienyl]methanimine?
N-[(1Z,3E)-4-chloro-2,3-dimethylpenta-1,3-dienyl]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-[(1Z,3E)-4-chloro-2,3-dimethylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 146563499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).