(Z)-2-chloro-N-methylhex-4-en-3-imine

C7H12ClN — CID 145092423

IUPAC(Z)-2-chloro-N-methylhex-4-en-3-imine
SMILESC/C=C\C(=N\C)C(C)Cl
InChIInChI=1S/C7H12ClN/c1-4-5-7(9-3)6(2)8/h4-6H,1-3H3/b5-4-,9-7-
InChIKeySILCLNZPAMEMHX-PHSHQRSZSA-N
MW145.63 g/mol
LogP2.26
Rot. Bonds2

About (Z)-2-chloro-N-methylhex-4-en-3-imine

(Z)-2-chloro-N-methylhex-4-en-3-imine (PubChem CID 145092423) has the molecular formula C7H12ClN and a molecular weight of 145.63 g/mol. Its IUPAC name is (Z)-2-chloro-N-methylhex-4-en-3-imine.

Molecular Properties

Compound Name(Z)-2-chloro-N-methylhex-4-en-3-imine
PubChem CID145092423
Molecular FormulaC7H12ClN
Molecular Weight145.63 g/mol
Exact Mass145.07
IUPAC Name(Z)-2-chloro-N-methylhex-4-en-3-imine
SMILESC/C=C\C(=N\C)C(C)Cl
InChIInChI=1S/C7H12ClN/c1-4-5-7(9-3)6(2)8/h4-6H,1-3H3/b5-4-,9-7-
InChIKeySILCLNZPAMEMHX-PHSHQRSZSA-N
XLogP2.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.63
LogP ≤ 52.26
H-Bond Donors ≤ 50
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

(E)-4-chloro-N-methylpent-3-en-2-imine
CID 58359864
4-chloro-N-methylpent-3-en-2-imine
CID 76733626
3-Chloro-6-methyl-2,3-dihydropyridine
CID 89932265
(3R)-3-chloro-6-methyl-2,3-dihydropyridine
CID 89932269
N-methylhex-4-en-3-imine
CID 90818744
(Z)-2-chlorohex-4-en-3-imine
CID 91021416
6-(Chloromethyl)-2,5-dihydropyridine
CID 91180760
6-(Chloromethyl)-3-methyl-2,3-dihydropyridine
CID 91208172
(E)-3-chloro-N-methylpent-3-en-2-imine
CID 91456997
3-chloro-N-methylpent-3-en-2-imine
CID 91469125
(Z)-N-methylhex-4-en-3-imine
CID 123220444
(2E,5Z)-2-chloro-N-methylhepta-2,5-dien-4-imine
CID 123642296

Frequently Asked Questions

What is the IUPAC name of (Z)-2-chloro-N-methylhex-4-en-3-imine?
The IUPAC name of (Z)-2-chloro-N-methylhex-4-en-3-imine (CID 145092423) is (Z)-2-chloro-N-methylhex-4-en-3-imine.
What is the SMILES notation for (Z)-2-chloro-N-methylhex-4-en-3-imine?
The canonical SMILES for (Z)-2-chloro-N-methylhex-4-en-3-imine is C/C=C\C(=N\C)C(C)Cl.
What is the InChIKey of (Z)-2-chloro-N-methylhex-4-en-3-imine?
The InChIKey is SILCLNZPAMEMHX-PHSHQRSZSA-N. The full InChI is InChI=1S/C7H12ClN/c1-4-5-7(9-3)6(2)8/h4-6H,1-3H3/b5-4-,9-7-.
What are the key properties of (Z)-2-chloro-N-methylhex-4-en-3-imine?
(Z)-2-chloro-N-methylhex-4-en-3-imine has a molecular weight of 145.63 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-N-methylhex-4-en-3-imine is sourced from PubChem (CID 145092423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).