3-chloro-N,2-dimethylbut-2-en-1-imine

C6H10ClN — CID 123264521

IUPAC3-chloro-N,2-dimethylbut-2-en-1-imine
SMILESC/N=C/C(C)=C(C)Cl
InChIInChI=1S/C6H10ClN/c1-5(4-8-3)6(2)7/h4H,1-3H3/b6-5?,8-4+
InChIKeyATSIXKBIWXJKPJ-KEFBPMMISA-N
MW131.61 g/mol
LogP2.22
Rot. Bonds1

About 3-chloro-N,2-dimethylbut-2-en-1-imine

3-chloro-N,2-dimethylbut-2-en-1-imine (PubChem CID 123264521) has the molecular formula C6H10ClN and a molecular weight of 131.61 g/mol. Its IUPAC name is 3-chloro-N,2-dimethylbut-2-en-1-imine.

Molecular Properties

Compound Name3-chloro-N,2-dimethylbut-2-en-1-imine
PubChem CID123264521
Molecular FormulaC6H10ClN
Molecular Weight131.61 g/mol
Exact Mass131.05
IUPAC Name3-chloro-N,2-dimethylbut-2-en-1-imine
SMILESC/N=C/C(C)=C(C)Cl
InChIInChI=1S/C6H10ClN/c1-5(4-8-3)6(2)7/h4H,1-3H3/b6-5?,8-4+
InChIKeyATSIXKBIWXJKPJ-KEFBPMMISA-N
XLogP2.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.61
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloroethenyl)-2-methylprop-2-en-1-imine
CID 90688003
N,2,3-trimethylbut-2-enimidoyl chloride
CID 90879753
N,2,3-trimethylbut-2-en-1-imine
CID 123452663
N-(2-chloroprop-1-enyl)-2-methylprop-2-en-1-imine
CID 123516827
N-(1-chloroethenyl)-2,3-dimethylbut-2-en-1-imine
CID 123612629
2-chloro-N,3-dimethylpent-2-en-4-yn-1-imine
CID 123788260
3-chloro-N-ethyl-2-methylbut-2-enimidoyl chloride
CID 123909762
(E)-3-chloro-2-ethynyl-N-methylbut-2-en-1-imine
CID 130223573
(Z,Z)-N-(1-chloroethenyl)-2-methylbut-2-en-1-imine
CID 142097749
(Z)-N-(1-chloroethenyl)-2-methylprop-2-en-1-imine
CID 143141602
(Z)-N-(1-chloro-2-methylprop-1-enyl)propan-1-imine
CID 144378717
3-chloro-4-methyl-2H-pyrrole
CID 173508432

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,2-dimethylbut-2-en-1-imine?
The IUPAC name of 3-chloro-N,2-dimethylbut-2-en-1-imine (CID 123264521) is 3-chloro-N,2-dimethylbut-2-en-1-imine.
What is the SMILES notation for 3-chloro-N,2-dimethylbut-2-en-1-imine?
The canonical SMILES for 3-chloro-N,2-dimethylbut-2-en-1-imine is C/N=C/C(C)=C(C)Cl.
What is the InChIKey of 3-chloro-N,2-dimethylbut-2-en-1-imine?
The InChIKey is ATSIXKBIWXJKPJ-KEFBPMMISA-N. The full InChI is InChI=1S/C6H10ClN/c1-5(4-8-3)6(2)7/h4H,1-3H3/b6-5?,8-4+.
What are the key properties of 3-chloro-N,2-dimethylbut-2-en-1-imine?
3-chloro-N,2-dimethylbut-2-en-1-imine has a molecular weight of 131.61 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2-dimethylbut-2-en-1-imine is sourced from PubChem (CID 123264521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).