2-chloro-3-methyliminoprop-1-en-1-amine

C4H7ClN2 — CID 149050485

IUPAC2-chloro-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(Cl)=CN
InChIInChI=1S/C4H7ClN2/c1-7-3-4(5)2-6/h2-3H,6H2,1H3/b4-2?,7-3+
InChIKeyXKABQNBUEUARJZ-WHZWGVERSA-N
MW118.57 g/mol
LogP0.73
Rot. Bonds1

About 2-chloro-3-methyliminoprop-1-en-1-amine

2-chloro-3-methyliminoprop-1-en-1-amine (PubChem CID 149050485) has the molecular formula C4H7ClN2 and a molecular weight of 118.57 g/mol. Its IUPAC name is 2-chloro-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name2-chloro-3-methyliminoprop-1-en-1-amine
PubChem CID149050485
Molecular FormulaC4H7ClN2
Molecular Weight118.57 g/mol
Exact Mass118.03
IUPAC Name2-chloro-3-methyliminoprop-1-en-1-amine
SMILESC/N=C/C(Cl)=CN
InChIInChI=1S/C4H7ClN2/c1-7-3-4(5)2-6/h2-3H,6H2,1H3/b4-2?,7-3+
InChIKeyXKABQNBUEUARJZ-WHZWGVERSA-N
XLogP0.73
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.57
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyliminoprop-1-en-1-amine?
The IUPAC name of 2-chloro-3-methyliminoprop-1-en-1-amine (CID 149050485) is 2-chloro-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for 2-chloro-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for 2-chloro-3-methyliminoprop-1-en-1-amine is C/N=C/C(Cl)=CN.
What is the InChIKey of 2-chloro-3-methyliminoprop-1-en-1-amine?
The InChIKey is XKABQNBUEUARJZ-WHZWGVERSA-N. The full InChI is InChI=1S/C4H7ClN2/c1-7-3-4(5)2-6/h2-3H,6H2,1H3/b4-2?,7-3+.
What are the key properties of 2-chloro-3-methyliminoprop-1-en-1-amine?
2-chloro-3-methyliminoprop-1-en-1-amine has a molecular weight of 118.57 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 149050485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).