(Z)-2-amino-3-chloro-N-ethenyl-N'-methylbut-2-enimidamide;ethane

C9H18ClN3 — CID 142292806

IUPAC(Z)-2-amino-3-chloro-N-ethenyl-N'-methylbut-2-enimidamide;ethane
SMILESC=CNC(=N\C)/C(N)=C(\C)Cl.CC
InChIInChI=1S/C7H12ClN3.C2H6/c1-4-11-7(10-3)6(9)5(2)8;1-2/h4H,1,9H2,2-3H3,(H,10,11);1-2H3/b6-5-;
InChIKeyGVVSLVBQDAXDOI-YSMBQZINSA-N
MW203.72 g/mol
LogP2.20
Rot. Bonds2

About (Z)-2-amino-3-chloro-N-ethenyl-N'-methylbut-2-enimidamide;ethane

(Z)-2-amino-3-chloro-N-ethenyl-N'-methylbut-2-enimidamide;ethane (PubChem CID 142292806) has the molecular formula C9H18ClN3 and a molecular weight of 203.72 g/mol. Its IUPAC name is (Z)-2-amino-3-chloro-N-ethenyl-N'-methylbut-2-enimidamide;ethane.

Molecular Properties

Compound Name(Z)-2-amino-3-chloro-N-ethenyl-N'-methylbut-2-enimidamide;ethane
PubChem CID142292806
Molecular FormulaC9H18ClN3
Molecular Weight203.72 g/mol
Exact Mass203.12
IUPAC Name(Z)-2-amino-3-chloro-N-ethenyl-N'-methylbut-2-enimidamide;ethane
SMILESC=CNC(=N\C)/C(N)=C(\C)Cl.CC
InChIInChI=1S/C7H12ClN3.C2H6/c1-4-11-7(10-3)6(9)5(2)8;1-2/h4H,1,9H2,2-3H3,(H,10,11);1-2H3/b6-5-;
InChIKeyGVVSLVBQDAXDOI-YSMBQZINSA-N
XLogP2.20
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.72
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-chloro-N-ethenyl-N'-methylbut-2-enimidamide;ethane?
The IUPAC name of (Z)-2-amino-3-chloro-N-ethenyl-N'-methylbut-2-enimidamide;ethane (CID 142292806) is (Z)-2-amino-3-chloro-N-ethenyl-N'-methylbut-2-enimidamide;ethane.
What is the SMILES notation for (Z)-2-amino-3-chloro-N-ethenyl-N'-methylbut-2-enimidamide;ethane?
The canonical SMILES for (Z)-2-amino-3-chloro-N-ethenyl-N'-methylbut-2-enimidamide;ethane is C=CNC(=N\C)/C(N)=C(\C)Cl.CC.
What is the InChIKey of (Z)-2-amino-3-chloro-N-ethenyl-N'-methylbut-2-enimidamide;ethane?
The InChIKey is GVVSLVBQDAXDOI-YSMBQZINSA-N. The full InChI is InChI=1S/C7H12ClN3.C2H6/c1-4-11-7(10-3)6(9)5(2)8;1-2/h4H,1,9H2,2-3H3,(H,10,11);1-2H3/b6-5-;.
What are the key properties of (Z)-2-amino-3-chloro-N-ethenyl-N'-methylbut-2-enimidamide;ethane?
(Z)-2-amino-3-chloro-N-ethenyl-N'-methylbut-2-enimidamide;ethane has a molecular weight of 203.72 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-chloro-N-ethenyl-N'-methylbut-2-enimidamide;ethane is sourced from PubChem (CID 142292806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).