(Z)-N-(12-ethyl-8-methylpentadec-11-enyl)-N-methyl-N'-prop-1-en-2-ylbut-2-enimidamide

C26H48N2 — CID 123415562

IUPAC(Z)-N-(12-ethyl-8-methylpentadec-11-enyl)-N-methyl-N'-prop-1-en-2-ylbut-2-enimidamide
SMILESC=C(C)/N=C(/C=C\C)N(C)CCCCCCCC(C)CCC=C(CC)CCC
InChIInChI=1S/C26H48N2/c1-8-17-25(10-3)21-16-20-24(6)19-14-12-11-13-15-22-28(7)26(18-9-2)27-23(4)5/h9,18,21,24H,4,8,10-17,19-20,22H2,1-3,5-7H3/b18-9-,25-21?,27-26-
InChIKeySTHFYKAHNIDROM-OEFZLXNJSA-N
MW388.68 g/mol
LogP8.32
Rot. Bonds16

About (Z)-N-(12-ethyl-8-methylpentadec-11-enyl)-N-methyl-N'-prop-1-en-2-ylbut-2-enimidamide

(Z)-N-(12-ethyl-8-methylpentadec-11-enyl)-N-methyl-N'-prop-1-en-2-ylbut-2-enimidamide (PubChem CID 123415562) has the molecular formula C26H48N2 and a molecular weight of 388.68 g/mol. Its IUPAC name is (Z)-N-(12-ethyl-8-methylpentadec-11-enyl)-N-methyl-N'-prop-1-en-2-ylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-N-(12-ethyl-8-methylpentadec-11-enyl)-N-methyl-N'-prop-1-en-2-ylbut-2-enimidamide
PubChem CID123415562
Molecular FormulaC26H48N2
Molecular Weight388.68 g/mol
Exact Mass388.38
IUPAC Name(Z)-N-(12-ethyl-8-methylpentadec-11-enyl)-N-methyl-N'-prop-1-en-2-ylbut-2-enimidamide
SMILESC=C(C)/N=C(/C=C\C)N(C)CCCCCCCC(C)CCC=C(CC)CCC
InChIInChI=1S/C26H48N2/c1-8-17-25(10-3)21-16-20-24(6)19-14-12-11-13-15-22-28(7)26(18-9-2)27-23(4)5/h9,18,21,24H,4,8,10-17,19-20,22H2,1-3,5-7H3/b18-9-,25-21?,27-26-
InChIKeySTHFYKAHNIDROM-OEFZLXNJSA-N
XLogP8.32
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.68
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z)-N-(12-ethyl-8-methylpentadec-11-enyl)-N-methyl-N'-prop-1-en-2-ylbut-2-enimidamide with MolForge

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Related Compounds

4-[(5Z)-7-fluoro-4-methylideneocta-5,7-dienyl]-1-[(1-methyl-4,5-dimethylideneimidazol-2-yl)methyl]azepane
CID 143552585
N-(3,4-dimethylpentan-2-yl)-N-methyl-N'-[2-methyl-1-(4-methylcyclohexen-1-yl)propyl]ethanimidamide
CID 68029836
6-(3,8-dimethyldecan-5-yl)-1,3-dimethyl-4-propan-2-yl-4H-pyrimidin-3-ium
CID 91006323
3-(5-methyloctan-2-yl)-6,7-dihydro-2H-pyrido[1,2-a]pyrimidine
CID 123444144
(7Z,9Z)-1-(3-butan-2-yl-2-methylidene-1-pyridinyl)-N,2-dimethyldodeca-7,9,11-trien-1-imine
CID 130374259
1-(cyclohexylmethyl)-3-methylidene-N-[(Z)-prop-1-enyl]-5-propylpyrrol-2-imine;ethene
CID 142947991
N-(3-cyclohepta-1,3,6-trien-1-yl-2-methylpropyl)-N-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-N'-methylethanimidamide
CID 146616467
(E)-2-N-[1-(azetidin-1-yl)-2,3-dimethylbut-2-enylidene]-4-N,5-dimethyldec-2-ene-2,4-diimine
CID 154970113
N'-ethyl-N-[4-[ethyl-[(6Z)-4-propan-2-ylidene-5-propylnona-1,6,8-trien-2-yl]amino]butan-2-yl]-N-methylethanimidamide
CID 154980407
N'-[(Z,2E)-2-ethylidenehept-3-enyl]-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methylcyclohexanecarboximidamide
CID 166885722
(Z)-N'-ethenyl-3-[methyl-[1-[2-(3-methylideneoctyl)cycloprop-2-en-1-yl]ethyl]amino]prop-2-enimidamide
CID 167252677
(2E,3Z)-4-cyclooctyl-2-ethylidene-3-prop-2-enylidene-6-pyrrolidin-1-ylpyridine;ethane
CID 169177674

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(12-ethyl-8-methylpentadec-11-enyl)-N-methyl-N'-prop-1-en-2-ylbut-2-enimidamide?
The IUPAC name of (Z)-N-(12-ethyl-8-methylpentadec-11-enyl)-N-methyl-N'-prop-1-en-2-ylbut-2-enimidamide (CID 123415562) is (Z)-N-(12-ethyl-8-methylpentadec-11-enyl)-N-methyl-N'-prop-1-en-2-ylbut-2-enimidamide.
What is the SMILES notation for (Z)-N-(12-ethyl-8-methylpentadec-11-enyl)-N-methyl-N'-prop-1-en-2-ylbut-2-enimidamide?
The canonical SMILES for (Z)-N-(12-ethyl-8-methylpentadec-11-enyl)-N-methyl-N'-prop-1-en-2-ylbut-2-enimidamide is C=C(C)/N=C(/C=C\C)N(C)CCCCCCCC(C)CCC=C(CC)CCC.
What is the InChIKey of (Z)-N-(12-ethyl-8-methylpentadec-11-enyl)-N-methyl-N'-prop-1-en-2-ylbut-2-enimidamide?
The InChIKey is STHFYKAHNIDROM-OEFZLXNJSA-N. The full InChI is InChI=1S/C26H48N2/c1-8-17-25(10-3)21-16-20-24(6)19-14-12-11-13-15-22-28(7)26(18-9-2)27-23(4)5/h9,18,21,24H,4,8,10-17,19-20,22H2,1-3,5-7H3/b18-9-,25-21?,27-26-.
What are the key properties of (Z)-N-(12-ethyl-8-methylpentadec-11-enyl)-N-methyl-N'-prop-1-en-2-ylbut-2-enimidamide?
(Z)-N-(12-ethyl-8-methylpentadec-11-enyl)-N-methyl-N'-prop-1-en-2-ylbut-2-enimidamide has a molecular weight of 388.68 g/mol, XLogP of 8.32, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(12-ethyl-8-methylpentadec-11-enyl)-N-methyl-N'-prop-1-en-2-ylbut-2-enimidamide is sourced from PubChem (CID 123415562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).