N'-[(2E)-2-(ethenylamino)-3,4-dimethylpenta-2,4-dienyl]methanimidamide

C10H17N3 — CID 130337496

IUPACN'-[(2E)-2-(ethenylamino)-3,4-dimethylpenta-2,4-dienyl]methanimidamide
SMILESC=CN/C(C/N=C/N)=C(\C)C(=C)C
InChIInChI=1S/C10H17N3/c1-5-13-10(6-12-7-11)9(4)8(2)3/h5,7,13H,1-2,6H2,3-4H3,(H2,11,12)/b10-9+
InChIKeyIGXIHDDMYVANJG-MDZDMXLPSA-N
MW179.27 g/mol
LogP1.56
Rot. Bonds5

About N'-[(2E)-2-(ethenylamino)-3,4-dimethylpenta-2,4-dienyl]methanimidamide

N'-[(2E)-2-(ethenylamino)-3,4-dimethylpenta-2,4-dienyl]methanimidamide (PubChem CID 130337496) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N'-[(2E)-2-(ethenylamino)-3,4-dimethylpenta-2,4-dienyl]methanimidamide.

Molecular Properties

Compound NameN'-[(2E)-2-(ethenylamino)-3,4-dimethylpenta-2,4-dienyl]methanimidamide
PubChem CID130337496
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN'-[(2E)-2-(ethenylamino)-3,4-dimethylpenta-2,4-dienyl]methanimidamide
SMILESC=CN/C(C/N=C/N)=C(\C)C(=C)C
InChIInChI=1S/C10H17N3/c1-5-13-10(6-12-7-11)9(4)8(2)3/h5,7,13H,1-2,6H2,3-4H3,(H2,11,12)/b10-9+
InChIKeyIGXIHDDMYVANJG-MDZDMXLPSA-N
XLogP1.56
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.56
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N'-[(2E)-2-(ethenylamino)-3,4-dimethylpenta-2,4-dienyl]methanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z,5Z)-2-N-ethenyl-6-methylocta-3,5,7-triene-2,3-diamine
CID 88998046
N'-ethenyl-N-(3-methylpent-2-en-2-yl)methanimidamide
CID 123221162
5-[(1E,3E)-2,3-dimethylhexa-1,3,5-trienyl]-6-methyl-1,4-dihydropyrimidin-4-amine
CID 123303165
(2E,4Z)-5-N-methyl-3-[(E)-2-methyl-3-(methylideneamino)prop-2-enyl]penta-2,4-diene-1,2,5-triamine
CID 126676264
N-[(1Z,3E)-1-amino-2-methylhexa-1,3,5-trien-3-yl]-N'-methylmethanimidamide
CID 129288826
N'-[(3Z)-3-amino-4-(ethenylamino)-2-methylpenta-1,3-dienyl]methanimidamide
CID 130337498
(1E,3E,5Z)-4-ethenyl-N-methyl-5-(methylideneamino)-N'-propylhepta-1,3,5-triene-1,7-diamine
CID 132038843
(2E,4Z)-N-ethyl-5-methyl-2-(methylideneamino)hepta-2,4,6-trien-1-amine
CID 134557940
(Z,2E)-2-ethylidene-N-[(Z)-2-(methylideneamino)prop-1-enyl]pent-3-en-1-amine
CID 135270843
(5E)-5-[(Z)-3-methylpent-2-enylidene]-1,4-dihydroimidazole
CID 137427544
(5E)-5-[(Z)-3-methylhex-2-enylidene]-1,4-dihydroimidazole
CID 137427602
(3E,5E)-N,6-dimethyl-2-(methylideneamino)octa-3,5-dien-3-amine
CID 137427614

Frequently Asked Questions

What is the IUPAC name of N'-[(2E)-2-(ethenylamino)-3,4-dimethylpenta-2,4-dienyl]methanimidamide?
The IUPAC name of N'-[(2E)-2-(ethenylamino)-3,4-dimethylpenta-2,4-dienyl]methanimidamide (CID 130337496) is N'-[(2E)-2-(ethenylamino)-3,4-dimethylpenta-2,4-dienyl]methanimidamide.
What is the SMILES notation for N'-[(2E)-2-(ethenylamino)-3,4-dimethylpenta-2,4-dienyl]methanimidamide?
The canonical SMILES for N'-[(2E)-2-(ethenylamino)-3,4-dimethylpenta-2,4-dienyl]methanimidamide is C=CN/C(C/N=C/N)=C(\C)C(=C)C.
What is the InChIKey of N'-[(2E)-2-(ethenylamino)-3,4-dimethylpenta-2,4-dienyl]methanimidamide?
The InChIKey is IGXIHDDMYVANJG-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H17N3/c1-5-13-10(6-12-7-11)9(4)8(2)3/h5,7,13H,1-2,6H2,3-4H3,(H2,11,12)/b10-9+.
What are the key properties of N'-[(2E)-2-(ethenylamino)-3,4-dimethylpenta-2,4-dienyl]methanimidamide?
N'-[(2E)-2-(ethenylamino)-3,4-dimethylpenta-2,4-dienyl]methanimidamide has a molecular weight of 179.27 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2E)-2-(ethenylamino)-3,4-dimethylpenta-2,4-dienyl]methanimidamide is sourced from PubChem (CID 130337496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).