(E)-2-methyl-3-(methylamino)prop-2-enimidoyl chloride

C5H9ClN2 — CID 167151920

IUPAC(E)-2-methyl-3-(methylamino)prop-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C(C)=C/NC
InChIInChI=1S/C5H9ClN2/c1-4(3-8-2)5(6)7/h3,7-8H,1-2H3/b4-3+,7-5-
InChIKeyULBIFWQNMGRHMG-BZDQXIRASA-N
MW132.59 g/mol
LogP1.33
Rot. Bonds2

About (E)-2-methyl-3-(methylamino)prop-2-enimidoyl chloride

(E)-2-methyl-3-(methylamino)prop-2-enimidoyl chloride (PubChem CID 167151920) has the molecular formula C5H9ClN2 and a molecular weight of 132.59 g/mol. Its IUPAC name is (E)-2-methyl-3-(methylamino)prop-2-enimidoyl chloride.

Molecular Properties

Compound Name(E)-2-methyl-3-(methylamino)prop-2-enimidoyl chloride
PubChem CID167151920
Molecular FormulaC5H9ClN2
Molecular Weight132.59 g/mol
Exact Mass132.05
IUPAC Name(E)-2-methyl-3-(methylamino)prop-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C(C)=C/NC
InChIInChI=1S/C5H9ClN2/c1-4(3-8-2)5(6)7/h3,7-8H,1-2H3/b4-3+,7-5-
InChIKeyULBIFWQNMGRHMG-BZDQXIRASA-N
XLogP1.33
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(ethynylamino)-2-methylprop-2-enimidoyl chloride
CID 164546318
(Z)-4-chloro-4-imino-3-methylbut-2-enimidoyl fluoride
CID 138494935
(E)-2-iodo-3-(methylamino)prop-2-enimidoyl bromide
CID 146400622
3-amino-2-ethenylbut-2-enimidoyl chloride
CID 163959040
(Z)-3-(methylamino)prop-2-enimidoyl bromide
CID 137281421
2-chloroprop-2-enimidoyl chloride
CID 138597266
(Z)-2-methylidenepent-3-enimidoyl chloride
CID 122550265
(Z)-2-(1-hydroxyethyl)but-2-enimidoyl chloride
CID 123995117
N-methyl-N-[1-(methylamino)ethyl]ethanimidamide
CID 146392656
N'-[(Z)-2-chloro-2-(ethanimidoylamino)ethenyl]ethanimidamide
CID 176531946
2-imino-3-methylbutanoyl chloride
CID 142079723
(Z)-2-ethyl-4-iminobut-2-enimidoyl chloride
CID 170214305

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-3-(methylamino)prop-2-enimidoyl chloride?
The IUPAC name of (E)-2-methyl-3-(methylamino)prop-2-enimidoyl chloride (CID 167151920) is (E)-2-methyl-3-(methylamino)prop-2-enimidoyl chloride.
What is the SMILES notation for (E)-2-methyl-3-(methylamino)prop-2-enimidoyl chloride?
The canonical SMILES for (E)-2-methyl-3-(methylamino)prop-2-enimidoyl chloride is [H]/N=C(Cl)/C(C)=C/NC.
What is the InChIKey of (E)-2-methyl-3-(methylamino)prop-2-enimidoyl chloride?
The InChIKey is ULBIFWQNMGRHMG-BZDQXIRASA-N. The full InChI is InChI=1S/C5H9ClN2/c1-4(3-8-2)5(6)7/h3,7-8H,1-2H3/b4-3+,7-5-.
What are the key properties of (E)-2-methyl-3-(methylamino)prop-2-enimidoyl chloride?
(E)-2-methyl-3-(methylamino)prop-2-enimidoyl chloride has a molecular weight of 132.59 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-3-(methylamino)prop-2-enimidoyl chloride is sourced from PubChem (CID 167151920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).