N'-methyl-N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]iminoethanimidamide

C15H23N3 — CID 154981837

IUPACN'-methyl-N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]iminoethanimidamide
SMILESC/C=C\C=C(/C=C\C)CNC(/C=N/C=C/C)=N/C
InChIInChI=1S/C15H23N3/c1-5-8-10-14(9-6-2)12-18-15(16-4)13-17-11-7-3/h5-11,13H,12H2,1-4H3,(H,16,18)/b8-5-,9-6-,11-7+,14-10+,17-13+
InChIKeyREMYQTCOIJGBEN-RYKQSPQUSA-N
MW245.37 g/mol
LogP3.29
Rot. Bonds6

About N'-methyl-N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]iminoethanimidamide

N'-methyl-N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]iminoethanimidamide (PubChem CID 154981837) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N'-methyl-N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]iminoethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]iminoethanimidamide
PubChem CID154981837
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN'-methyl-N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]iminoethanimidamide
SMILESC/C=C\C=C(/C=C\C)CNC(/C=N/C=C/C)=N/C
InChIInChI=1S/C15H23N3/c1-5-8-10-14(9-6-2)12-18-15(16-4)13-17-11-7-3/h5-11,13H,12H2,1-4H3,(H,16,18)/b8-5-,9-6-,11-7+,14-10+,17-13+
InChIKeyREMYQTCOIJGBEN-RYKQSPQUSA-N
XLogP3.29
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.29
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-[(Z)-prop-1-enyl]-2-[(5Z,7E)-7-(trifluoromethyl)-4,9-dihydro-1H-1,3-diazonin-2-yl]prop-2-en-1-imine
CID 144315762
N-[(1Z,3Z)-3-(1-amino-1-fluoroethyl)hepta-1,3-dienyl]-N'-methylethanimidamide
CID 177357033
N'-[(3E)-2,3-dimethyl-4-(5-methyl-1,2,3,6-tetrahydropyridin-4-yl)buta-1,3-dienyl]ethanimidamide
CID 123457912
9-Ethenyl-2,6-dimethyl-1,4,9,10-tetrahydro-1,3-diazecine
CID 123923845
(3E)-N-ethenyl-3-[(Z)-3-(methyliminomethyl)pent-3-en-2-ylidene]pyrrol-2-amine
CID 126663390
(2Z)-N-methyl-6-methylimino-2-[(2-methyl-4H-pyrimidin-3-yl)methylidene]hexa-3,4-dien-1-amine
CID 129045772
N-[(3Z,5E)-2,5-dimethylocta-3,5,7-trien-3-yl]-N'-ethenylethanimidamide
CID 130179060
N-ethenyl-N'-[(1Z,3E)-2-ethyl-3-methylhexa-1,3,5-trienyl]ethanimidamide
CID 132170857
N'-[(1Z,3E)-2,3-dimethylhexa-1,3,5-trienyl]-N-ethenylethanimidamide
CID 134214435
2-methyl-5-[(Z)-prop-1-enyl]-1,4-dihydropyrimidine
CID 138509396
7-N-ethenyl-2-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6-methyl-3H-azepine-2,7-diamine
CID 138711198
(E)-N'-ethenyl-2-methyl-3-(methylamino)-N-[(3E,5E)-2,5,6,7-tetramethylocta-1,3,5,7-tetraen-3-yl]but-2-enimidamide
CID 139469997

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]iminoethanimidamide?
The IUPAC name of N'-methyl-N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]iminoethanimidamide (CID 154981837) is N'-methyl-N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]iminoethanimidamide.
What is the SMILES notation for N'-methyl-N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]iminoethanimidamide?
The canonical SMILES for N'-methyl-N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]iminoethanimidamide is C/C=C\C=C(/C=C\C)CNC(/C=N/C=C/C)=N/C.
What is the InChIKey of N'-methyl-N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]iminoethanimidamide?
The InChIKey is REMYQTCOIJGBEN-RYKQSPQUSA-N. The full InChI is InChI=1S/C15H23N3/c1-5-8-10-14(9-6-2)12-18-15(16-4)13-17-11-7-3/h5-11,13H,12H2,1-4H3,(H,16,18)/b8-5-,9-6-,11-7+,14-10+,17-13+.
What are the key properties of N'-methyl-N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]iminoethanimidamide?
N'-methyl-N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]iminoethanimidamide has a molecular weight of 245.37 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]-2-[(E)-prop-1-enyl]iminoethanimidamide is sourced from PubChem (CID 154981837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).