(Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine

C10H16ClN3 — CID 163386940

IUPAC(Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine
SMILESC/C=C(\N=N\C)C(/C(C)=N/C)=C(/C)Cl
InChIInChI=1S/C10H16ClN3/c1-6-9(14-13-5)10(7(2)11)8(3)12-4/h6H,1-5H3/b9-6-,10-7-,12-8+,14-13+
InChIKeyQSMGNHFCADBSQV-AEHQAGQUSA-N
MW213.71 g/mol
LogP3.58
Rot. Bonds3

About (Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine

(Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine (PubChem CID 163386940) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is (Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine.

Molecular Properties

Compound Name(Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine
PubChem CID163386940
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name(Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine
SMILESC/C=C(\N=N\C)C(/C(C)=N/C)=C(/C)Cl
InChIInChI=1S/C10H16ClN3/c1-6-9(14-13-5)10(7(2)11)8(3)12-4/h6H,1-5H3/b9-6-,10-7-,12-8+,14-13+
InChIKeyQSMGNHFCADBSQV-AEHQAGQUSA-N
XLogP3.58
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(methyldiazenyl)pent-3-en-2-one
CID 144679561
ethane;N'-methyl-N-methyliminoethanimidamide
CID 145279493
2-methylbut-2-ene;N-methylpropan-2-imine
CID 161325778
(3E)-3-chloro-N,5-dimethylhexa-3,5-dien-2-imine
CID 156715493
2-N,3-N-dimethylbutane-2,3-diimine;hydrogen peroxide;nickel
CID 20647692
3,4-dichloropenta-1,3-diene
CID 91053470
(3E)-3,4-dichloropenta-1,3-diene
CID 167302623
(E)-4-methyl-2-methyliminohex-4-en-3-one
CID 123666831
[(3E)-3-chlorohexa-1,3,5-trien-2-yl]-methyldiazene
CID 142981168
3-chloro-N,2-dimethylbut-2-enimidoyl chloride
CID 91351263
N-ethylidene-N'-methylethanimidamide
CID 58796711
(4Z)-3-N-methyl-4-N-methylidenehexa-1,4-diene-3,4-diimine
CID 134360187

Frequently Asked Questions

What is the IUPAC name of (Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine?
The IUPAC name of (Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine (CID 163386940) is (Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine.
What is the SMILES notation for (Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine?
The canonical SMILES for (Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine is C/C=C(\N=N\C)C(/C(C)=N/C)=C(/C)Cl.
What is the InChIKey of (Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine?
The InChIKey is QSMGNHFCADBSQV-AEHQAGQUSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-6-9(14-13-5)10(7(2)11)8(3)12-4/h6H,1-5H3/b9-6-,10-7-,12-8+,14-13+.
What are the key properties of (Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine?
(Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine has a molecular weight of 213.71 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-3-(1-chloroethylidene)-N-methyl-4-(methyldiazenyl)hex-4-en-2-imine is sourced from PubChem (CID 163386940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).