2-chloro-N,N-dimethylethenamine

C4H8ClN — CID 54345185

IUPAC2-chloro-N,N-dimethylethenamine
SMILESCN(C)C=CCl
InChIInChI=1S/C4H8ClN/c1-6(2)4-3-5/h3-4H,1-2H3
InChIKeyYSDPJBXWIOKILQ-UHFFFAOYSA-N
MW105.57 g/mol
LogP1.26
Rot. Bonds1

About 2-chloro-N,N-dimethylethenamine

2-chloro-N,N-dimethylethenamine (PubChem CID 54345185) has the molecular formula C4H8ClN and a molecular weight of 105.57 g/mol. Its IUPAC name is 2-chloro-N,N-dimethylethenamine.

Molecular Properties

Compound Name2-chloro-N,N-dimethylethenamine
PubChem CID54345185
Molecular FormulaC4H8ClN
Molecular Weight105.57 g/mol
Exact Mass105.03
IUPAC Name2-chloro-N,N-dimethylethenamine
SMILESCN(C)C=CCl
InChIInChI=1S/C4H8ClN/c1-6(2)4-3-5/h3-4H,1-2H3
InChIKeyYSDPJBXWIOKILQ-UHFFFAOYSA-N
XLogP1.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.57
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethylethenamine?
The IUPAC name of 2-chloro-N,N-dimethylethenamine (CID 54345185) is 2-chloro-N,N-dimethylethenamine.
What is the SMILES notation for 2-chloro-N,N-dimethylethenamine?
The canonical SMILES for 2-chloro-N,N-dimethylethenamine is CN(C)C=CCl.
What is the InChIKey of 2-chloro-N,N-dimethylethenamine?
The InChIKey is YSDPJBXWIOKILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClN/c1-6(2)4-3-5/h3-4H,1-2H3.
What are the key properties of 2-chloro-N,N-dimethylethenamine?
2-chloro-N,N-dimethylethenamine has a molecular weight of 105.57 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethylethenamine is sourced from PubChem (CID 54345185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).