N-(3-methyliminoprop-1-en-2-yl)-N'-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide

C11H17N3 — CID 123236031

IUPACN-(3-methyliminoprop-1-en-2-yl)-N'-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide
SMILESC=C(/C=C\C)/N=C(\C)NC(=C)/C=N/C
InChIInChI=1S/C11H17N3/c1-6-7-9(2)13-11(4)14-10(3)8-12-5/h6-8H,2-3H2,1,4-5H3,(H,13,14)/b7-6-,12-8+
InChIKeyGKVIEWSNGTVNLP-UGLNBITBSA-N
MW191.28 g/mol
LogP2.30
Rot. Bonds4

About N-(3-methyliminoprop-1-en-2-yl)-N'-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide

N-(3-methyliminoprop-1-en-2-yl)-N'-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide (PubChem CID 123236031) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-(3-methyliminoprop-1-en-2-yl)-N'-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide.

Molecular Properties

Compound NameN-(3-methyliminoprop-1-en-2-yl)-N'-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide
PubChem CID123236031
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-(3-methyliminoprop-1-en-2-yl)-N'-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide
SMILESC=C(/C=C\C)/N=C(\C)NC(=C)/C=N/C
InChIInChI=1S/C11H17N3/c1-6-7-9(2)13-11(4)14-10(3)8-12-5/h6-8H,2-3H2,1,4-5H3,(H,13,14)/b7-6-,12-8+
InChIKeyGKVIEWSNGTVNLP-UGLNBITBSA-N
XLogP2.30
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.30
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
(5Z,7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonine
CID 68220253
[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]methanamine
CID 88939569
N'-methyl-N-[(Z,1E)-4-(methylamino)-1-[(Z)-prop-2-enylidenehydrazinylidene]but-2-en-2-yl]methanimidamide
CID 90453570
9-Methylidene-2-propan-2-yl-1,4-dihydro-1,3-diazonine
CID 90836516
N'-ethyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]ethanimidamide
CID 121279957
[(4E)-4-but-2-enylidene-5-methylidene-1H-imidazol-2-yl]methanamine
CID 123452172
(7Z)-2-methyl-9-methylidene-1,4-dihydro-1,3-diazonine
CID 123778633
N'-[(3E,5Z)-7-iminohepta-1,3,5-trien-2-yl]-N-methyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
CID 124112863
(E)-N'-ethyl-N-prop-1-en-2-ylbut-2-enimidamide
CID 124182032
N'-methyl-N-[(2Z)-penta-2,4-dien-2-yl]ethanimidamide
CID 126636618
2-methyl-4,9-dimethylidene-1H-1,3-diazonine
CID 129060640

Frequently Asked Questions

What is the IUPAC name of N-(3-methyliminoprop-1-en-2-yl)-N'-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide?
The IUPAC name of N-(3-methyliminoprop-1-en-2-yl)-N'-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide (CID 123236031) is N-(3-methyliminoprop-1-en-2-yl)-N'-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide.
What is the SMILES notation for N-(3-methyliminoprop-1-en-2-yl)-N'-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide?
The canonical SMILES for N-(3-methyliminoprop-1-en-2-yl)-N'-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide is C=C(/C=C\C)/N=C(\C)NC(=C)/C=N/C.
What is the InChIKey of N-(3-methyliminoprop-1-en-2-yl)-N'-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide?
The InChIKey is GKVIEWSNGTVNLP-UGLNBITBSA-N. The full InChI is InChI=1S/C11H17N3/c1-6-7-9(2)13-11(4)14-10(3)8-12-5/h6-8H,2-3H2,1,4-5H3,(H,13,14)/b7-6-,12-8+.
What are the key properties of N-(3-methyliminoprop-1-en-2-yl)-N'-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide?
N-(3-methyliminoprop-1-en-2-yl)-N'-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide has a molecular weight of 191.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyliminoprop-1-en-2-yl)-N'-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide is sourced from PubChem (CID 123236031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).