N-(N-buta-1,3-dien-2-yl-C-methylcarbonimidoyl)-N'-ethenylethanimidamide

C10H15N3 — CID 176518440

IUPACN-(N-buta-1,3-dien-2-yl-C-methylcarbonimidoyl)-N'-ethenylethanimidamide
SMILESC=C/N=C(\C)N/C(C)=N/C(=C)C=C
InChIInChI=1S/C10H15N3/c1-6-8(3)12-10(5)13-9(4)11-7-2/h6-7H,1-3H2,4-5H3,(H,11,12,13)
InChIKeyAPSUBAREAJECRX-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.26
Rot. Bonds3

About N-(N-buta-1,3-dien-2-yl-C-methylcarbonimidoyl)-N'-ethenylethanimidamide

N-(N-buta-1,3-dien-2-yl-C-methylcarbonimidoyl)-N'-ethenylethanimidamide (PubChem CID 176518440) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N-(N-buta-1,3-dien-2-yl-C-methylcarbonimidoyl)-N'-ethenylethanimidamide.

Molecular Properties

Compound NameN-(N-buta-1,3-dien-2-yl-C-methylcarbonimidoyl)-N'-ethenylethanimidamide
PubChem CID176518440
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN-(N-buta-1,3-dien-2-yl-C-methylcarbonimidoyl)-N'-ethenylethanimidamide
SMILESC=C/N=C(\C)N/C(C)=N/C(=C)C=C
InChIInChI=1S/C10H15N3/c1-6-8(3)12-10(5)13-9(4)11-7-2/h6-7H,1-3H2,4-5H3,(H,11,12,13)
InChIKeyAPSUBAREAJECRX-UHFFFAOYSA-N
XLogP2.26
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.26
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N'-[(E)-but-2-enyl]-N-[(2E,4Z)-4-fluorohexa-2,4-dien-2-yl]ethanimidamide
CID 126707495
N'-ethenyl-N-[(3E)-3-fluoropenta-1,3-dien-2-yl]ethanimidamide
CID 143612570
2,6-Dimethyl-1,4-dihydropyrimidine
CID 57135030
2-methyl-6-methylidene-1H-pyrimidine
CID 57672172
6-methylidene-2-propan-2-yl-1H-pyrimidine
CID 58222476
2-tert-butyl-6-methylidene-1H-pyrimidine
CID 58222482
(5Z,7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonine
CID 68220253
(E)-[(4E)-2-methyl-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine
CID 88586966
N'-[(1E)-2-(dimethylamino)buta-1,3-dienyl]ethanimidamide
CID 88917238
[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]methanamine
CID 88939569
2-methyl-N'-[(Z)-prop-1-enyl]-N-prop-1-en-2-ylpropanimidamide
CID 89152923
N'-[(1E)-2-aminobuta-1,3-dienyl]ethanimidamide
CID 89670013

Frequently Asked Questions

What is the IUPAC name of N-(N-buta-1,3-dien-2-yl-C-methylcarbonimidoyl)-N'-ethenylethanimidamide?
The IUPAC name of N-(N-buta-1,3-dien-2-yl-C-methylcarbonimidoyl)-N'-ethenylethanimidamide (CID 176518440) is N-(N-buta-1,3-dien-2-yl-C-methylcarbonimidoyl)-N'-ethenylethanimidamide.
What is the SMILES notation for N-(N-buta-1,3-dien-2-yl-C-methylcarbonimidoyl)-N'-ethenylethanimidamide?
The canonical SMILES for N-(N-buta-1,3-dien-2-yl-C-methylcarbonimidoyl)-N'-ethenylethanimidamide is C=C/N=C(\C)N/C(C)=N/C(=C)C=C.
What is the InChIKey of N-(N-buta-1,3-dien-2-yl-C-methylcarbonimidoyl)-N'-ethenylethanimidamide?
The InChIKey is APSUBAREAJECRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-6-8(3)12-10(5)13-9(4)11-7-2/h6-7H,1-3H2,4-5H3,(H,11,12,13).
What are the key properties of N-(N-buta-1,3-dien-2-yl-C-methylcarbonimidoyl)-N'-ethenylethanimidamide?
N-(N-buta-1,3-dien-2-yl-C-methylcarbonimidoyl)-N'-ethenylethanimidamide has a molecular weight of 177.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N-buta-1,3-dien-2-yl-C-methylcarbonimidoyl)-N'-ethenylethanimidamide is sourced from PubChem (CID 176518440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).