(Z)-3-amino-N-methylprop-2-enimidoyl chloride;ethane

C8H19ClN2 — CID 143705298

IUPAC(Z)-3-amino-N-methylprop-2-enimidoyl chloride;ethane
SMILESC/N=C(Cl)/C=C\N.CC.CC
InChIInChI=1S/C4H7ClN2.2C2H6/c1-7-4(5)2-3-6;2*1-2/h2-3H,6H2,1H3;2*1-2H3/b3-2-,7-4-;;
InChIKeyRQQPWTDSRMCTQP-LYDBPSPDSA-N
MW178.71 g/mol
LogP2.78
Rot. Bonds1

About (Z)-3-amino-N-methylprop-2-enimidoyl chloride;ethane

(Z)-3-amino-N-methylprop-2-enimidoyl chloride;ethane (PubChem CID 143705298) has the molecular formula C8H19ClN2 and a molecular weight of 178.71 g/mol. Its IUPAC name is (Z)-3-amino-N-methylprop-2-enimidoyl chloride;ethane.

Molecular Properties

Compound Name(Z)-3-amino-N-methylprop-2-enimidoyl chloride;ethane
PubChem CID143705298
Molecular FormulaC8H19ClN2
Molecular Weight178.71 g/mol
Exact Mass178.12
IUPAC Name(Z)-3-amino-N-methylprop-2-enimidoyl chloride;ethane
SMILESC/N=C(Cl)/C=C\N.CC.CC
InChIInChI=1S/C4H7ClN2.2C2H6/c1-7-4(5)2-3-6;2*1-2/h2-3H,6H2,1H3;2*1-2H3/b3-2-,7-4-;;
InChIKeyRQQPWTDSRMCTQP-LYDBPSPDSA-N
XLogP2.78
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.71
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;(Z)-3-methyliminobut-1-en-1-amine
CID 143155642
(Z)-3-amino-N-(1-aminoethenyl)prop-2-enimidoyl chloride
CID 173022754
[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]boronic acid
CID 163401081
4-amino-2-methyliminobut-3-enal
CID 159791397
[(Z)-4-aminobut-3-en-2-ylidene]vanadium
CID 144985348
(Z)-4,4-difluoro-3-methylimino-4-phosphanylbut-1-en-1-amine
CID 178152509
(Z)-3-amino-N-ethenyl-N'-methylprop-2-enimidamide
CID 89191764
(1Z)-3,4-dimethylpenta-1,3-dien-1-amine;ethane
CID 144535129
3-methoxy-N-methylbut-2-enimidoyl chloride
CID 123505027
(Z)-3-amino-N-(4-chloropyrimidin-2-yl)-N'-methylprop-2-enimidamide
CID 165375797
3-methylimino-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-1-amine
CID 146797377
2-[(Z)-4-amino-2-methyliminobut-3-enyl]sulfanylethanol
CID 170714056

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-N-methylprop-2-enimidoyl chloride;ethane?
The IUPAC name of (Z)-3-amino-N-methylprop-2-enimidoyl chloride;ethane (CID 143705298) is (Z)-3-amino-N-methylprop-2-enimidoyl chloride;ethane.
What is the SMILES notation for (Z)-3-amino-N-methylprop-2-enimidoyl chloride;ethane?
The canonical SMILES for (Z)-3-amino-N-methylprop-2-enimidoyl chloride;ethane is C/N=C(Cl)/C=C\N.CC.CC.
What is the InChIKey of (Z)-3-amino-N-methylprop-2-enimidoyl chloride;ethane?
The InChIKey is RQQPWTDSRMCTQP-LYDBPSPDSA-N. The full InChI is InChI=1S/C4H7ClN2.2C2H6/c1-7-4(5)2-3-6;2*1-2/h2-3H,6H2,1H3;2*1-2H3/b3-2-,7-4-;;.
What are the key properties of (Z)-3-amino-N-methylprop-2-enimidoyl chloride;ethane?
(Z)-3-amino-N-methylprop-2-enimidoyl chloride;ethane has a molecular weight of 178.71 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N-methylprop-2-enimidoyl chloride;ethane is sourced from PubChem (CID 143705298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).