(Z)-1-chloro-3-methylhex-3-en-2-imine

C7H12ClN — CID 123601961

IUPAC(Z)-1-chloro-3-methylhex-3-en-2-imine
SMILES[H]/N=C(CCl)/C(C)=C\CC
InChIInChI=1S/C7H12ClN/c1-3-4-6(2)7(9)5-8/h4,9H,3,5H2,1-2H3/b6-4-,9-7+
InChIKeyOTHUGQDLOOVUGA-UNQQQNFISA-N
MW145.63 g/mol
LogP2.60
Rot. Bonds3

About (Z)-1-chloro-3-methylhex-3-en-2-imine

(Z)-1-chloro-3-methylhex-3-en-2-imine (PubChem CID 123601961) has the molecular formula C7H12ClN and a molecular weight of 145.63 g/mol. Its IUPAC name is (Z)-1-chloro-3-methylhex-3-en-2-imine.

Molecular Properties

Compound Name(Z)-1-chloro-3-methylhex-3-en-2-imine
PubChem CID123601961
Molecular FormulaC7H12ClN
Molecular Weight145.63 g/mol
Exact Mass145.07
IUPAC Name(Z)-1-chloro-3-methylhex-3-en-2-imine
SMILES[H]/N=C(CCl)/C(C)=C\CC
InChIInChI=1S/C7H12ClN/c1-3-4-6(2)7(9)5-8/h4,9H,3,5H2,1-2H3/b6-4-,9-7+
InChIKeyOTHUGQDLOOVUGA-UNQQQNFISA-N
XLogP2.60
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.63
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Imino-6-chloro-2-methyl-2,5-cyclohexadiene
CID 129743469
6-Chloro-4-methylhept-4-ene-2,3-diimine
CID 90887194
(Z)-2-chlorohex-4-en-3-imine
CID 91021416
(Z)-1,5-dichlorohex-3-en-2-imine
CID 123172756
(E)-2,4-dichlorohex-4-en-3-imine
CID 123912179
(Z)-4-imino-3-methylpent-2-enimidoyl chloride
CID 145498461
(E)-2-ethylbut-2-enimidoyl chloride
CID 166697381
(Z)-1-chloro-4-(chloromethyl)hept-4-en-2-imine
CID 173869140
5-Chloro-3-methylpent-3-en-2-imine
CID 174617581

Frequently Asked Questions

What is the IUPAC name of (Z)-1-chloro-3-methylhex-3-en-2-imine?
The IUPAC name of (Z)-1-chloro-3-methylhex-3-en-2-imine (CID 123601961) is (Z)-1-chloro-3-methylhex-3-en-2-imine.
What is the SMILES notation for (Z)-1-chloro-3-methylhex-3-en-2-imine?
The canonical SMILES for (Z)-1-chloro-3-methylhex-3-en-2-imine is [H]/N=C(CCl)/C(C)=C\CC.
What is the InChIKey of (Z)-1-chloro-3-methylhex-3-en-2-imine?
The InChIKey is OTHUGQDLOOVUGA-UNQQQNFISA-N. The full InChI is InChI=1S/C7H12ClN/c1-3-4-6(2)7(9)5-8/h4,9H,3,5H2,1-2H3/b6-4-,9-7+.
What are the key properties of (Z)-1-chloro-3-methylhex-3-en-2-imine?
(Z)-1-chloro-3-methylhex-3-en-2-imine has a molecular weight of 145.63 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-chloro-3-methylhex-3-en-2-imine is sourced from PubChem (CID 123601961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).