N-ethylidene-N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide

C8H12N2 — CID 138725760

IUPACN-ethylidene-N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide
SMILESC=C/C(C)=C\N=C\N=C\C
InChIInChI=1S/C8H12N2/c1-4-8(3)6-10-7-9-5-2/h4-7H,1H2,2-3H3/b8-6-,9-5+,10-7+
InChIKeyWLXFRIYMVHRYMT-IYIBNSMCSA-N
MW136.20 g/mol
LogP2.20
Rot. Bonds3

About N-ethylidene-N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide

N-ethylidene-N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide (PubChem CID 138725760) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N-ethylidene-N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide.

Molecular Properties

Compound NameN-ethylidene-N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide
PubChem CID138725760
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN-ethylidene-N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide
SMILESC=C/C(C)=C\N=C\N=C\C
InChIInChI=1S/C8H12N2/c1-4-8(3)6-10-7-9-5-2/h4-7H,1H2,2-3H3/b8-6-,9-5+,10-7+
InChIKeyWLXFRIYMVHRYMT-IYIBNSMCSA-N
XLogP2.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimine
CID 88884962
N'-[(Z)-but-1-enyl]-N-ethylidenemethanimidamide
CID 88996354
N-[(Z)-3-methylidenepent-1-enyl]ethanimine
CID 89125593
N-[(1Z)-3-methylbuta-1,3-dienyl]ethanimine
CID 89300744
2-[(ethylideneamino)methylidene]-N-methylbut-3-en-1-imine
CID 90806045
N-(2-methylbut-1-enyl)prop-2-en-1-imine
CID 91078779
N-[(1E)-2-methylbuta-1,3-dienyl]ethanimine
CID 117930741
N-(3-methylbuta-1,3-dienyl)ethanimine
CID 123297496
N-(2-methylbuta-1,3-dienyl)ethanimine
CID 123561520
6-methyl-5H-1,3-diazepine
CID 123768170
2,5-Dimethyl-1,3-diazacyclohepta-2,4,6,7-tetraene
CID 123929868
N-[(Z)-2-methylbut-1-enyl]prop-2-en-1-imine
CID 123983845

Frequently Asked Questions

What is the IUPAC name of N-ethylidene-N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide?
The IUPAC name of N-ethylidene-N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide (CID 138725760) is N-ethylidene-N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide.
What is the SMILES notation for N-ethylidene-N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide?
The canonical SMILES for N-ethylidene-N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide is C=C/C(C)=C\N=C\N=C\C.
What is the InChIKey of N-ethylidene-N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide?
The InChIKey is WLXFRIYMVHRYMT-IYIBNSMCSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-8(3)6-10-7-9-5-2/h4-7H,1H2,2-3H3/b8-6-,9-5+,10-7+.
What are the key properties of N-ethylidene-N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide?
N-ethylidene-N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide has a molecular weight of 136.20 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylidene-N'-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide is sourced from PubChem (CID 138725760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).