N'-buta-1,3-dien-2-yl-4-methylpent-3-enimidamide;ethane

C12H22N2 — CID 143303381

IUPACN'-buta-1,3-dien-2-yl-4-methylpent-3-enimidamide;ethane
SMILESC=CC(=C)/N=C(/N)CC=C(C)C.CC
InChIInChI=1S/C10H16N2.C2H6/c1-5-9(4)12-10(11)7-6-8(2)3;1-2/h5-6H,1,4,7H2,2-3H3,(H2,11,12);1-2H3
InChIKeyVNXUJRVZOLSWMD-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.43
Rot. Bonds4

About N'-buta-1,3-dien-2-yl-4-methylpent-3-enimidamide;ethane

N'-buta-1,3-dien-2-yl-4-methylpent-3-enimidamide;ethane (PubChem CID 143303381) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N'-buta-1,3-dien-2-yl-4-methylpent-3-enimidamide;ethane.

Molecular Properties

Compound NameN'-buta-1,3-dien-2-yl-4-methylpent-3-enimidamide;ethane
PubChem CID143303381
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN'-buta-1,3-dien-2-yl-4-methylpent-3-enimidamide;ethane
SMILESC=CC(=C)/N=C(/N)CC=C(C)C.CC
InChIInChI=1S/C10H16N2.C2H6/c1-5-9(4)12-10(11)7-6-8(2)3;1-2/h5-6H,1,4,7H2,2-3H3,(H2,11,12);1-2H3
InChIKeyVNXUJRVZOLSWMD-UHFFFAOYSA-N
XLogP3.43
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N'-[(2E,4E)-3-fluoro-4-methylhepta-2,4-dien-2-yl]ethanimidamide
CID 90464549
N'-[(3E)-5-fluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]-2-methylprop-2-enimidamide
CID 164867167
(2E,3Z,5Z)-2-(1-aminoethylidene)-N'-ethenyl-3-fluoro-5-methylhepta-3,5-dienimidamide
CID 173671358
N'-(1-cyclohepta-1,3,6-trien-1-ylprop-1-enyl)pentanimidamide
CID 91142648
N'-(2-ethylidenehex-3-enyl)propanimidamide
CID 91395600
2,4-dimethyl-4H-azepin-7-amine
CID 91441162
N'-[(E)-hex-2-en-2-yl]ethanimidamide
CID 117998023
N'-(4-methylpent-2-en-2-yl)ethanimidamide
CID 123304139
(2E,3Z)-N-(1-aminoethylidene)-2-ethylidene-N'-methylhepta-3,5,6-trienimidamide
CID 123348002
(7E)-4-ethenyl-7-[(Z,2E,3E)-3-ethylidene-2-prop-2-enylidenehex-4-enylidene]-3,6-dihydroazepin-2-amine
CID 129058386
4-ethenyl-7-[(1E,3Z)-2-(4-ethenylcyclohexa-1,5-dien-1-yl)penta-1,3-dienyl]-3H-azepin-2-amine
CID 129058528
(2Z)-3-amino-N'-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide
CID 129060199

Frequently Asked Questions

What is the IUPAC name of N'-buta-1,3-dien-2-yl-4-methylpent-3-enimidamide;ethane?
The IUPAC name of N'-buta-1,3-dien-2-yl-4-methylpent-3-enimidamide;ethane (CID 143303381) is N'-buta-1,3-dien-2-yl-4-methylpent-3-enimidamide;ethane.
What is the SMILES notation for N'-buta-1,3-dien-2-yl-4-methylpent-3-enimidamide;ethane?
The canonical SMILES for N'-buta-1,3-dien-2-yl-4-methylpent-3-enimidamide;ethane is C=CC(=C)/N=C(/N)CC=C(C)C.CC.
What is the InChIKey of N'-buta-1,3-dien-2-yl-4-methylpent-3-enimidamide;ethane?
The InChIKey is VNXUJRVZOLSWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.C2H6/c1-5-9(4)12-10(11)7-6-8(2)3;1-2/h5-6H,1,4,7H2,2-3H3,(H2,11,12);1-2H3.
What are the key properties of N'-buta-1,3-dien-2-yl-4-methylpent-3-enimidamide;ethane?
N'-buta-1,3-dien-2-yl-4-methylpent-3-enimidamide;ethane has a molecular weight of 194.32 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-buta-1,3-dien-2-yl-4-methylpent-3-enimidamide;ethane is sourced from PubChem (CID 143303381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).