N-[(3Z)-5-chloro-2,4-dimethylhexa-3,5-dien-3-yl]methanimine

C9H14ClN — CID 142387886

IUPACN-[(3Z)-5-chloro-2,4-dimethylhexa-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C(/C)C(=C)Cl)C(C)C
InChIInChI=1S/C9H14ClN/c1-6(2)9(11-5)7(3)8(4)10/h6H,4-5H2,1-3H3/b9-7-
InChIKeySJYMVJJINIZSLI-CLFYSBASSA-N
MW171.67 g/mol
LogP3.37
Rot. Bonds3

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

N-[(3Z)-5-chloro-2,4-dimethylhexa-3,5-dien-3-yl]methanimine (PubChem CID 142387886) has the molecular formula C9H14ClN and a molecular weight of 171.67 g/mol. Its IUPAC name is N-[(3Z)-5-chloro-2,4-dimethylhexa-3,5-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z)-5-chloro-2,4-dimethylhexa-3,5-dien-3-yl]methanimine
PubChem CID142387886
Molecular FormulaC9H14ClN
Molecular Weight171.67 g/mol
Exact Mass171.08
IUPAC NameN-[(3Z)-5-chloro-2,4-dimethylhexa-3,5-dien-3-yl]methanimine
SMILESC=N/C(=C(/C)C(=C)Cl)C(C)C
InChIInChI=1S/C9H14ClN/c1-6(2)9(11-5)7(3)8(4)10/h6H,4-5H2,1-3H3/b9-7-
InChIKeySJYMVJJINIZSLI-CLFYSBASSA-N
XLogP3.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.67
LogP ≤ 53.37
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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Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-5-chloro-2,4-dimethylhexa-3,5-dien-3-yl]methanimine?
The IUPAC name of N-[(3Z)-5-chloro-2,4-dimethylhexa-3,5-dien-3-yl]methanimine (CID 142387886) is N-[(3Z)-5-chloro-2,4-dimethylhexa-3,5-dien-3-yl]methanimine.
What is the SMILES notation for N-[(3Z)-5-chloro-2,4-dimethylhexa-3,5-dien-3-yl]methanimine?
The canonical SMILES for N-[(3Z)-5-chloro-2,4-dimethylhexa-3,5-dien-3-yl]methanimine is C=N/C(=C(/C)C(=C)Cl)C(C)C.
What is the InChIKey of N-[(3Z)-5-chloro-2,4-dimethylhexa-3,5-dien-3-yl]methanimine?
The InChIKey is SJYMVJJINIZSLI-CLFYSBASSA-N. The full InChI is InChI=1S/C9H14ClN/c1-6(2)9(11-5)7(3)8(4)10/h6H,4-5H2,1-3H3/b9-7-.
What are the key properties of N-[(3Z)-5-chloro-2,4-dimethylhexa-3,5-dien-3-yl]methanimine?
N-[(3Z)-5-chloro-2,4-dimethylhexa-3,5-dien-3-yl]methanimine has a molecular weight of 171.67 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-5-chloro-2,4-dimethylhexa-3,5-dien-3-yl]methanimine is sourced from PubChem (CID 142387886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).