N-[(Z)-1-(methylamino)ethenyliminomethyl]ethanimidoyl chloride

C6H10ClN3 — CID 142861453

IUPACN-[(Z)-1-(methylamino)ethenyliminomethyl]ethanimidoyl chloride
SMILESC=C(/N=C\N=C(/C)Cl)NC
InChIInChI=1S/C6H10ClN3/c1-5(7)9-4-10-6(2)8-3/h4,8H,2H2,1,3H3/b9-5+,10-4-
InChIKeyULAVENSEFISOKP-OYUPVOQBSA-N
MW159.62 g/mol
LogP1.36
Rot. Bonds3

About N-[(Z)-1-(methylamino)ethenyliminomethyl]ethanimidoyl chloride

N-[(Z)-1-(methylamino)ethenyliminomethyl]ethanimidoyl chloride (PubChem CID 142861453) has the molecular formula C6H10ClN3 and a molecular weight of 159.62 g/mol. Its IUPAC name is N-[(Z)-1-(methylamino)ethenyliminomethyl]ethanimidoyl chloride.

Molecular Properties

Compound NameN-[(Z)-1-(methylamino)ethenyliminomethyl]ethanimidoyl chloride
PubChem CID142861453
Molecular FormulaC6H10ClN3
Molecular Weight159.62 g/mol
Exact Mass159.06
IUPAC NameN-[(Z)-1-(methylamino)ethenyliminomethyl]ethanimidoyl chloride
SMILESC=C(/N=C\N=C(/C)Cl)NC
InChIInChI=1S/C6H10ClN3/c1-5(7)9-4-10-6(2)8-3/h4,8H,2H2,1,3H3/b9-5+,10-4-
InChIKeyULAVENSEFISOKP-OYUPVOQBSA-N
XLogP1.36
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 51.36
H-Bond Donors ≤ 51
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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Related Compounds

N-(ethyliminomethyl)ethanimidoyl chloride
CID 164996228
N-[1-(2-amino-5-chlorophenyl)ethenyliminomethyl]ethanimidoyl chloride
CID 130243351
N-(cyanoiminomethyl)ethanimidoyl chloride
CID 139397168
N-(4-methoxy-2-methyl-3-methylidenehepta-1,4,6-trienyl)ethanimidoyl chloride
CID 123361427
N-[(1Z)-buta-1,3-dienyl]ethanimidoyl chloride
CID 89056970
N'-(1-chloroethenyl)-N-methylidenemethanimidamide
CID 91023125
(3E)-4-chloro-N,3-dimethylhexa-1,3,5-trien-2-amine
CID 142239286
(1Z)-N,3-dimethyl-1-(methylideneamino)buta-1,3-dien-1-amine
CID 143723048
(Z)-N-methyl-1-(methylideneamino)prop-1-en-2-amine
CID 142103381
(2E,4Z)-6-chloro-N-methylhepta-2,4,6-trien-2-amine
CID 145165350
N-ethylideneethanehydrazonoyl chloride
CID 76617269
N-ethylidene-N'-prop-1-en-2-ylmethanimidamide
CID 130351047

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(methylamino)ethenyliminomethyl]ethanimidoyl chloride?
The IUPAC name of N-[(Z)-1-(methylamino)ethenyliminomethyl]ethanimidoyl chloride (CID 142861453) is N-[(Z)-1-(methylamino)ethenyliminomethyl]ethanimidoyl chloride.
What is the SMILES notation for N-[(Z)-1-(methylamino)ethenyliminomethyl]ethanimidoyl chloride?
The canonical SMILES for N-[(Z)-1-(methylamino)ethenyliminomethyl]ethanimidoyl chloride is C=C(/N=C\N=C(/C)Cl)NC.
What is the InChIKey of N-[(Z)-1-(methylamino)ethenyliminomethyl]ethanimidoyl chloride?
The InChIKey is ULAVENSEFISOKP-OYUPVOQBSA-N. The full InChI is InChI=1S/C6H10ClN3/c1-5(7)9-4-10-6(2)8-3/h4,8H,2H2,1,3H3/b9-5+,10-4-.
What are the key properties of N-[(Z)-1-(methylamino)ethenyliminomethyl]ethanimidoyl chloride?
N-[(Z)-1-(methylamino)ethenyliminomethyl]ethanimidoyl chloride has a molecular weight of 159.62 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(methylamino)ethenyliminomethyl]ethanimidoyl chloride is sourced from PubChem (CID 142861453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).