(Z)-5-chloro-2-ethylhept-2-en-1-imine

C9H16ClN — CID 90764978

IUPAC(Z)-5-chloro-2-ethylhept-2-en-1-imine
SMILES[H]/N=C/C(=C\CC(Cl)CC)CC
InChIInChI=1S/C9H16ClN/c1-3-8(7-11)5-6-9(10)4-2/h5,7,9,11H,3-4,6H2,1-2H3/b8-5-,11-7+
InChIKeyMZOLVEGSRKTCSW-NDYCNEGQSA-N
MW173.69 g/mol
LogP3.38
Rot. Bonds5

About (Z)-5-chloro-2-ethylhept-2-en-1-imine

(Z)-5-chloro-2-ethylhept-2-en-1-imine (PubChem CID 90764978) has the molecular formula C9H16ClN and a molecular weight of 173.69 g/mol. Its IUPAC name is (Z)-5-chloro-2-ethylhept-2-en-1-imine.

Molecular Properties

Compound Name(Z)-5-chloro-2-ethylhept-2-en-1-imine
PubChem CID90764978
Molecular FormulaC9H16ClN
Molecular Weight173.69 g/mol
Exact Mass173.10
IUPAC Name(Z)-5-chloro-2-ethylhept-2-en-1-imine
SMILES[H]/N=C/C(=C\CC(Cl)CC)CC
InChIInChI=1S/C9H16ClN/c1-3-8(7-11)5-6-9(10)4-2/h5,7,9,11H,3-4,6H2,1-2H3/b8-5-,11-7+
InChIKeyMZOLVEGSRKTCSW-NDYCNEGQSA-N
XLogP3.38
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.69
LogP ≤ 53.38
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

(Z)-2-ethylhept-2-en-1-imine
CID 146336575
(E)-3-fluoro-5-methanimidoylhept-4-enal
CID 146922916
bis(3,8-dichlorodec-5-en-5-yloxy)-oxophosphanium
CID 173453852
3-methylpentane-1,2-diimine
CID 139890655
2-N-propan-2-ylbutane-1,2-diimine
CID 123596480
(Z)-N-ethyl-2-methanimidoylhex-2-en-1-amine
CID 139554966
4-methyl-2,3-dimethylidenehexan-1-imine
CID 170635680
(Z)-2-methanimidoyl-3-methylpent-1-en-1-amine
CID 147081796
4-methanimidoylhex-4-en-3-one
CID 155692065
(E)-3-bromo-2-methylpent-2-en-1-imine
CID 156729076
3-methanimidoylpent-2-en-2-amine
CID 173477121
(2Z)-2-ethylidenepent-4-en-1-imine
CID 171644246

Frequently Asked Questions

What is the IUPAC name of (Z)-5-chloro-2-ethylhept-2-en-1-imine?
The IUPAC name of (Z)-5-chloro-2-ethylhept-2-en-1-imine (CID 90764978) is (Z)-5-chloro-2-ethylhept-2-en-1-imine.
What is the SMILES notation for (Z)-5-chloro-2-ethylhept-2-en-1-imine?
The canonical SMILES for (Z)-5-chloro-2-ethylhept-2-en-1-imine is [H]/N=C/C(=C\CC(Cl)CC)CC.
What is the InChIKey of (Z)-5-chloro-2-ethylhept-2-en-1-imine?
The InChIKey is MZOLVEGSRKTCSW-NDYCNEGQSA-N. The full InChI is InChI=1S/C9H16ClN/c1-3-8(7-11)5-6-9(10)4-2/h5,7,9,11H,3-4,6H2,1-2H3/b8-5-,11-7+.
What are the key properties of (Z)-5-chloro-2-ethylhept-2-en-1-imine?
(Z)-5-chloro-2-ethylhept-2-en-1-imine has a molecular weight of 173.69 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-chloro-2-ethylhept-2-en-1-imine is sourced from PubChem (CID 90764978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).