2,2-dimethyl-N-prop-2-enylpropanimidoyl chloride

C8H14ClN — CID 10888197

IUPAC2,2-dimethyl-N-prop-2-enylpropanimidoyl chloride
SMILESC=CC/N=C(\Cl)C(C)(C)C
InChIInChI=1S/C8H14ClN/c1-5-6-10-7(9)8(2,3)4/h5H,1,6H2,2-4H3/b10-7-
InChIKeyFVPLVYUWINQSHD-YFHOEESVSA-N
MW159.66 g/mol
LogP2.86
Rot. Bonds2

About 2,2-dimethyl-N-prop-2-enylpropanimidoyl chloride

2,2-dimethyl-N-prop-2-enylpropanimidoyl chloride (PubChem CID 10888197) has the molecular formula C8H14ClN and a molecular weight of 159.66 g/mol. Its IUPAC name is 2,2-dimethyl-N-prop-2-enylpropanimidoyl chloride.

Molecular Properties

Compound Name2,2-dimethyl-N-prop-2-enylpropanimidoyl chloride
PubChem CID10888197
Molecular FormulaC8H14ClN
Molecular Weight159.66 g/mol
Exact Mass159.08
IUPAC Name2,2-dimethyl-N-prop-2-enylpropanimidoyl chloride
SMILESC=CC/N=C(\Cl)C(C)(C)C
InChIInChI=1S/C8H14ClN/c1-5-6-10-7(9)8(2,3)4/h5H,1,6H2,2-4H3/b10-7-
InChIKeyFVPLVYUWINQSHD-YFHOEESVSA-N
XLogP2.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-N-2-propen-1-ylpropanimidoyl chloride
CID 134920006
N-prop-2-enylpropanimidoyl chloride
CID 134988374
3-chloro-2,2-dimethyl-N-prop-2-enylpropan-1-imine
CID 15090167
(1E)-2-Chloro-2-methyl-N-(prop-2-en-1-yl)propan-1-imine
CID 15632332

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-prop-2-enylpropanimidoyl chloride?
The IUPAC name of 2,2-dimethyl-N-prop-2-enylpropanimidoyl chloride (CID 10888197) is 2,2-dimethyl-N-prop-2-enylpropanimidoyl chloride.
What is the SMILES notation for 2,2-dimethyl-N-prop-2-enylpropanimidoyl chloride?
The canonical SMILES for 2,2-dimethyl-N-prop-2-enylpropanimidoyl chloride is C=CC/N=C(\Cl)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-prop-2-enylpropanimidoyl chloride?
The InChIKey is FVPLVYUWINQSHD-YFHOEESVSA-N. The full InChI is InChI=1S/C8H14ClN/c1-5-6-10-7(9)8(2,3)4/h5H,1,6H2,2-4H3/b10-7-.
What are the key properties of 2,2-dimethyl-N-prop-2-enylpropanimidoyl chloride?
2,2-dimethyl-N-prop-2-enylpropanimidoyl chloride has a molecular weight of 159.66 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-prop-2-enylpropanimidoyl chloride is sourced from PubChem (CID 10888197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).