2-methyl-N-[(Z)-3-methylidenehex-1-enyl]butanimidoyl chloride

C12H20ClN — CID 142081407

IUPAC2-methyl-N-[(Z)-3-methylidenehex-1-enyl]butanimidoyl chloride
SMILESC=C(/C=C\N=C(/Cl)C(C)CC)CCC
InChIInChI=1S/C12H20ClN/c1-5-7-10(3)8-9-14-12(13)11(4)6-2/h8-9,11H,3,5-7H2,1-2,4H3/b9-8-,14-12-
InChIKeyWLORFEDSXNYZLL-LGUIDZQLSA-N
MW213.75 g/mol
LogP4.54
Rot. Bonds6

About 2-methyl-N-[(Z)-3-methylidenehex-1-enyl]butanimidoyl chloride

2-methyl-N-[(Z)-3-methylidenehex-1-enyl]butanimidoyl chloride (PubChem CID 142081407) has the molecular formula C12H20ClN and a molecular weight of 213.75 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-3-methylidenehex-1-enyl]butanimidoyl chloride.

Molecular Properties

Compound Name2-methyl-N-[(Z)-3-methylidenehex-1-enyl]butanimidoyl chloride
PubChem CID142081407
Molecular FormulaC12H20ClN
Molecular Weight213.75 g/mol
Exact Mass213.13
IUPAC Name2-methyl-N-[(Z)-3-methylidenehex-1-enyl]butanimidoyl chloride
SMILESC=C(/C=C\N=C(/Cl)C(C)CC)CCC
InChIInChI=1S/C12H20ClN/c1-5-7-10(3)8-9-14-12(13)11(4)6-2/h8-9,11H,3,5-7H2,1-2,4H3/b9-8-,14-12-
InChIKeyWLORFEDSXNYZLL-LGUIDZQLSA-N
XLogP4.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.75
LogP ≤ 54.54
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'}

Analyze 2-methyl-N-[(Z)-3-methylidenehex-1-enyl]butanimidoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Chloro-4-methyl-3,4-dihydropyridine
CID 68102653
2-Chloro-3-ethyl-3,4-dihydropyridine
CID 132067286
ethane;3-methyl-N-[(Z)-prop-1-enyl]but-3-enimidoyl chloride
CID 143610020
2-methylpropane;N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]prop-2-enimidoyl chloride
CID 156878074
3-methyl-N-[(Z)-prop-1-enyl]but-3-enimidoyl chloride
CID 143610021
N-[(Z)-4-methyl-3-methylidenepent-1-enyl]pentan-2-imine
CID 168972612

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-3-methylidenehex-1-enyl]butanimidoyl chloride?
The IUPAC name of 2-methyl-N-[(Z)-3-methylidenehex-1-enyl]butanimidoyl chloride (CID 142081407) is 2-methyl-N-[(Z)-3-methylidenehex-1-enyl]butanimidoyl chloride.
What is the SMILES notation for 2-methyl-N-[(Z)-3-methylidenehex-1-enyl]butanimidoyl chloride?
The canonical SMILES for 2-methyl-N-[(Z)-3-methylidenehex-1-enyl]butanimidoyl chloride is C=C(/C=C\N=C(/Cl)C(C)CC)CCC.
What is the InChIKey of 2-methyl-N-[(Z)-3-methylidenehex-1-enyl]butanimidoyl chloride?
The InChIKey is WLORFEDSXNYZLL-LGUIDZQLSA-N. The full InChI is InChI=1S/C12H20ClN/c1-5-7-10(3)8-9-14-12(13)11(4)6-2/h8-9,11H,3,5-7H2,1-2,4H3/b9-8-,14-12-.
What are the key properties of 2-methyl-N-[(Z)-3-methylidenehex-1-enyl]butanimidoyl chloride?
2-methyl-N-[(Z)-3-methylidenehex-1-enyl]butanimidoyl chloride has a molecular weight of 213.75 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z)-3-methylidenehex-1-enyl]butanimidoyl chloride is sourced from PubChem (CID 142081407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).