4-chloro-2,3-dimethylbutan-1-imine

C6H12ClN — CID 135137361

IUPAC4-chloro-2,3-dimethylbutan-1-imine
SMILES[H]/N=C/C(C)C(C)CCl
InChIInChI=1S/C6H12ClN/c1-5(3-7)6(2)4-8/h4-6,8H,3H2,1-2H3/b8-4+
InChIKeyGNWRZGMADPZDBE-XBXARRHUSA-N
MW133.62 g/mol
LogP2.15
Rot. Bonds3

About 4-chloro-2,3-dimethylbutan-1-imine

4-chloro-2,3-dimethylbutan-1-imine (PubChem CID 135137361) has the molecular formula C6H12ClN and a molecular weight of 133.62 g/mol. Its IUPAC name is 4-chloro-2,3-dimethylbutan-1-imine.

Molecular Properties

Compound Name4-chloro-2,3-dimethylbutan-1-imine
PubChem CID135137361
Molecular FormulaC6H12ClN
Molecular Weight133.62 g/mol
Exact Mass133.07
IUPAC Name4-chloro-2,3-dimethylbutan-1-imine
SMILES[H]/N=C/C(C)C(C)CCl
InChIInChI=1S/C6H12ClN/c1-5(3-7)6(2)4-8/h4-6,8H,3H2,1-2H3/b8-4+
InChIKeyGNWRZGMADPZDBE-XBXARRHUSA-N
XLogP2.15
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.62
LogP ≤ 52.15
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,3-dimethylbutan-1-imine?
The IUPAC name of 4-chloro-2,3-dimethylbutan-1-imine (CID 135137361) is 4-chloro-2,3-dimethylbutan-1-imine.
What is the SMILES notation for 4-chloro-2,3-dimethylbutan-1-imine?
The canonical SMILES for 4-chloro-2,3-dimethylbutan-1-imine is [H]/N=C/C(C)C(C)CCl.
What is the InChIKey of 4-chloro-2,3-dimethylbutan-1-imine?
The InChIKey is GNWRZGMADPZDBE-XBXARRHUSA-N. The full InChI is InChI=1S/C6H12ClN/c1-5(3-7)6(2)4-8/h4-6,8H,3H2,1-2H3/b8-4+.
What are the key properties of 4-chloro-2,3-dimethylbutan-1-imine?
4-chloro-2,3-dimethylbutan-1-imine has a molecular weight of 133.62 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,3-dimethylbutan-1-imine is sourced from PubChem (CID 135137361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).