N-[(3E)-6-methylhepta-3,5-dien-3-yl]-N'-[(2Z)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimidamide

C18H30N2 — CID 143871760

IUPACN-[(3E)-6-methylhepta-3,5-dien-3-yl]-N'-[(2Z)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimidamide
SMILESC=C/C(=C(C)\N=C(/C)N/C(=C/C=C(C)C)CC)C(C)C
InChIInChI=1S/C18H30N2/c1-9-17(12-11-13(3)4)20-16(8)19-15(7)18(10-2)14(5)6/h10-12,14H,2,9H2,1,3-8H3,(H,19,20)/b17-12+,18-15+
InChIKeyPNZIQWKPWYNXTP-NLKSIUOISA-N
MW274.45 g/mol
LogP5.37
Rot. Bonds6

About N-[(3E)-6-methylhepta-3,5-dien-3-yl]-N'-[(2Z)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimidamide

N-[(3E)-6-methylhepta-3,5-dien-3-yl]-N'-[(2Z)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimidamide (PubChem CID 143871760) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[(3E)-6-methylhepta-3,5-dien-3-yl]-N'-[(2Z)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimidamide.

Molecular Properties

Compound NameN-[(3E)-6-methylhepta-3,5-dien-3-yl]-N'-[(2Z)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimidamide
PubChem CID143871760
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[(3E)-6-methylhepta-3,5-dien-3-yl]-N'-[(2Z)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimidamide
SMILESC=C/C(=C(C)\N=C(/C)N/C(=C/C=C(C)C)CC)C(C)C
InChIInChI=1S/C18H30N2/c1-9-17(12-11-13(3)4)20-16(8)19-15(7)18(10-2)14(5)6/h10-12,14H,2,9H2,1,3-8H3,(H,19,20)/b17-12+,18-15+
InChIKeyPNZIQWKPWYNXTP-NLKSIUOISA-N
XLogP5.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.37
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N'-[(3E,5Z)-7-fluoro-2-methylhepta-1,3,5-trien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]butanimidamide
CID 139418781
(6E)-6-[(E)-3-fluorobut-2-enylidene]-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-4-yl]-5-propan-2-ylidenepyridin-2-amine
CID 156033214
N'-[(3Z)-2,4-difluorohexa-1,3,5-trien-3-yl]-N-[(3E)-2-methylpenta-1,3-dien-3-yl]ethanimidamide
CID 144199924
(6E)-6-[(E)-3-fluorobut-2-enylidene]-N-[(3E)-2-methylhepta-1,3,5-trien-4-yl]-5-methylidenepyridin-2-amine
CID 155584311
N-[(4E)-3,4-dimethyl-3-propan-2-ylhepta-1,4,6-trien-2-yl]-N'-methylethanimidamide
CID 88572439
4-Cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-6-methyl-1,4-dihydropyrimidine
CID 89603847
N'-methyl-N-(2-methylcyclohepta-1,4,6-trien-1-yl)-2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethanimidamide
CID 90949376
N-(3,4-dimethyl-3-propan-2-ylhepta-1,4,6-trien-2-yl)-N'-methylethanimidamide
CID 123512382
N-(2,6-dimethylocta-4,6-dien-2-yl)-N'-methylethanimidamide
CID 123677229
N-[(3Z,5E)-2,5-dimethylocta-3,5,7-trien-3-yl]-N'-ethenylethanimidamide
CID 130179060
(Z)-N'-methyl-4-methylidene-N-prop-1-en-2-ylhex-2-enimidamide
CID 132125351
N-[(1E)-1-cyclopenta-1,3-dien-1-yl-2-methylbuta-1,3-dienyl]-N'-methylethanimidamide
CID 132127354

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-6-methylhepta-3,5-dien-3-yl]-N'-[(2Z)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimidamide?
The IUPAC name of N-[(3E)-6-methylhepta-3,5-dien-3-yl]-N'-[(2Z)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimidamide (CID 143871760) is N-[(3E)-6-methylhepta-3,5-dien-3-yl]-N'-[(2Z)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimidamide.
What is the SMILES notation for N-[(3E)-6-methylhepta-3,5-dien-3-yl]-N'-[(2Z)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimidamide?
The canonical SMILES for N-[(3E)-6-methylhepta-3,5-dien-3-yl]-N'-[(2Z)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimidamide is C=C/C(=C(C)\N=C(/C)N/C(=C/C=C(C)C)CC)C(C)C.
What is the InChIKey of N-[(3E)-6-methylhepta-3,5-dien-3-yl]-N'-[(2Z)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimidamide?
The InChIKey is PNZIQWKPWYNXTP-NLKSIUOISA-N. The full InChI is InChI=1S/C18H30N2/c1-9-17(12-11-13(3)4)20-16(8)19-15(7)18(10-2)14(5)6/h10-12,14H,2,9H2,1,3-8H3,(H,19,20)/b17-12+,18-15+.
What are the key properties of N-[(3E)-6-methylhepta-3,5-dien-3-yl]-N'-[(2Z)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimidamide?
N-[(3E)-6-methylhepta-3,5-dien-3-yl]-N'-[(2Z)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimidamide has a molecular weight of 274.45 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-6-methylhepta-3,5-dien-3-yl]-N'-[(2Z)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimidamide is sourced from PubChem (CID 143871760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).