(Z)-5-(chloromethyl)hept-3-en-2-imine

C8H14ClN — CID 123284167

IUPAC(Z)-5-(chloromethyl)hept-3-en-2-imine
SMILES[H]/N=C(C)/C=C\C(CC)CCl
InChIInChI=1S/C8H14ClN/c1-3-8(6-9)5-4-7(2)10/h4-5,8,10H,3,6H2,1-2H3/b5-4-,10-7+
InChIKeyFISXKADQDXOAJU-DOIONKORSA-N
MW159.66 g/mol
LogP2.85
Rot. Bonds4

About (Z)-5-(chloromethyl)hept-3-en-2-imine

(Z)-5-(chloromethyl)hept-3-en-2-imine (PubChem CID 123284167) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is (Z)-5-(chloromethyl)hept-3-en-2-imine.

Molecular Properties

Compound Name(Z)-5-(chloromethyl)hept-3-en-2-imine
PubChem CID123284167
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC Name(Z)-5-(chloromethyl)hept-3-en-2-imine
SMILES[H]/N=C(C)/C=C\C(CC)CCl
InChIInChI=1S/C8H14ClN/c1-3-8(6-9)5-4-7(2)10/h4-5,8,10H,3,6H2,1-2H3/b5-4-,10-7+
InChIKeyFISXKADQDXOAJU-DOIONKORSA-N
XLogP2.85
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 52.85
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

2-Chloro-6-methylcyclohexa-2,4-dien-1-imine
CID 17962985
(Z)-2-chlorohex-4-en-3-imine
CID 91021416
5-Chloro-4-ethylcyclohex-2-en-1-imine
CID 91190445
5-Chloro-6-methylcyclohexa-2,4-dien-1-imine
CID 141368646
(Z,5S,6R)-6-chloro-5-ethyl-5-methylhept-2-en-4-imine
CID 155129256
2-(chloromethyl)-2,6-dimethyl-3H-pyridine
CID 69846654

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(chloromethyl)hept-3-en-2-imine?
The IUPAC name of (Z)-5-(chloromethyl)hept-3-en-2-imine (CID 123284167) is (Z)-5-(chloromethyl)hept-3-en-2-imine.
What is the SMILES notation for (Z)-5-(chloromethyl)hept-3-en-2-imine?
The canonical SMILES for (Z)-5-(chloromethyl)hept-3-en-2-imine is [H]/N=C(C)/C=C\C(CC)CCl.
What is the InChIKey of (Z)-5-(chloromethyl)hept-3-en-2-imine?
The InChIKey is FISXKADQDXOAJU-DOIONKORSA-N. The full InChI is InChI=1S/C8H14ClN/c1-3-8(6-9)5-4-7(2)10/h4-5,8,10H,3,6H2,1-2H3/b5-4-,10-7+.
What are the key properties of (Z)-5-(chloromethyl)hept-3-en-2-imine?
(Z)-5-(chloromethyl)hept-3-en-2-imine has a molecular weight of 159.66 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(chloromethyl)hept-3-en-2-imine is sourced from PubChem (CID 123284167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).