(E)-N'-ethenyl-2-prop-1-enyl-N-[(E)-3,5,7-trimethyldec-4-en-4-yl]pent-2-en-4-ynimidamide

C23H36N2 — CID 123310112

IUPAC(E)-N'-ethenyl-2-prop-1-enyl-N-[(E)-3,5,7-trimethyldec-4-en-4-yl]pent-2-en-4-ynimidamide
SMILESC#C/C=C(C=CC)/C(=N\C=C)N/C(=C(\C)CC(C)CCC)C(C)CC
InChIInChI=1S/C23H36N2/c1-9-14-18(6)17-20(8)22(19(7)12-4)25-23(24-13-5)21(15-10-2)16-11-3/h2,11,13,15-16,18-19H,5,9,12,14,17H2,1,3-4,6-8H3,(H,24,25)/b16-11?,21-15+,22-20+
InChIKeyDTDZTXLJXIXCAH-RIHPRNGISA-N
MW340.56 g/mol
LogP6.40
Rot. Bonds10

About (E)-N'-ethenyl-2-prop-1-enyl-N-[(E)-3,5,7-trimethyldec-4-en-4-yl]pent-2-en-4-ynimidamide

(E)-N'-ethenyl-2-prop-1-enyl-N-[(E)-3,5,7-trimethyldec-4-en-4-yl]pent-2-en-4-ynimidamide (PubChem CID 123310112) has the molecular formula C23H36N2 and a molecular weight of 340.56 g/mol. Its IUPAC name is (E)-N'-ethenyl-2-prop-1-enyl-N-[(E)-3,5,7-trimethyldec-4-en-4-yl]pent-2-en-4-ynimidamide.

Molecular Properties

Compound Name(E)-N'-ethenyl-2-prop-1-enyl-N-[(E)-3,5,7-trimethyldec-4-en-4-yl]pent-2-en-4-ynimidamide
PubChem CID123310112
Molecular FormulaC23H36N2
Molecular Weight340.56 g/mol
Exact Mass340.29
IUPAC Name(E)-N'-ethenyl-2-prop-1-enyl-N-[(E)-3,5,7-trimethyldec-4-en-4-yl]pent-2-en-4-ynimidamide
SMILESC#C/C=C(C=CC)/C(=N\C=C)N/C(=C(\C)CC(C)CCC)C(C)CC
InChIInChI=1S/C23H36N2/c1-9-14-18(6)17-20(8)22(19(7)12-4)25-23(24-13-5)21(15-10-2)16-11-3/h2,11,13,15-16,18-19H,5,9,12,14,17H2,1,3-4,6-8H3,(H,24,25)/b16-11?,21-15+,22-20+
InChIKeyDTDZTXLJXIXCAH-RIHPRNGISA-N
XLogP6.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.56
LogP ≤ 56.40
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3E,4Z)-2-imino-N'-methyl-4-(3-methylbutan-2-yl)-N-(7-methylnona-2,7-dien-2-yl)-3-propylideneocta-4,6-dienimidamide
CID 123960329
N-[(3Z,5Z)-5-ethylidene-6-propyldeca-1,3-dien-2-yl]-N'-[(1Z)-2-ethyl-3-methylbuta-1,3-dienyl]ethanimidamide
CID 134365026
(3E)-3-[(E)-6-butyl-7-[[(E)-2,3-dimethylpent-1-enyl]amino]-8-methyldec-7-en-3-ylidene]-N-prop-1-en-2-ylpyrrol-2-amine
CID 138511090
butane;(Z)-N-[4-[(3Z,5E,6Z)-4,10-diethyl-5-ethylidene-7-methyltrideca-3,6-dien-6-yl]-2,5-dimethylidenepyrrol-3-yl]-N'-[(Z)-prop-1-enyl]but-2-enimidamide;ethane
CID 144539706
N'-ethyl-3,3-dimethyl-N-[1-(2-methyl-4-propylcyclohexa-2,4-dien-1-yl)ethenyl]cyclopenta-1,4-diene-1-carboximidamide
CID 167149073
(3E)-5-methyl-N-[(E)-2-methylbut-1-enyl]-3-(3-methylpentan-2-ylidene)-1H-pyrrol-2-imine
CID 173871173
N-[(3E)-2,6-dimethyl-5-methylidenehepta-1,3-dien-3-yl]-N'-[(1Z,4Z,6Z)-3-methylidene-4-prop-1-ynylocta-1,4,6-trienyl]prop-2-ynimidamide;ethane
CID 177191968
(Z)-N-[4-[(3Z,5E,6Z)-4,10-diethyl-5-ethylidene-7-methyltrideca-3,6-dien-6-yl]-2,5-dimethylidenepyrrol-3-yl]-N'-[(Z)-prop-1-enyl]but-2-enimidamide
CID 144539707

Frequently Asked Questions

What is the IUPAC name of (E)-N'-ethenyl-2-prop-1-enyl-N-[(E)-3,5,7-trimethyldec-4-en-4-yl]pent-2-en-4-ynimidamide?
The IUPAC name of (E)-N'-ethenyl-2-prop-1-enyl-N-[(E)-3,5,7-trimethyldec-4-en-4-yl]pent-2-en-4-ynimidamide (CID 123310112) is (E)-N'-ethenyl-2-prop-1-enyl-N-[(E)-3,5,7-trimethyldec-4-en-4-yl]pent-2-en-4-ynimidamide.
What is the SMILES notation for (E)-N'-ethenyl-2-prop-1-enyl-N-[(E)-3,5,7-trimethyldec-4-en-4-yl]pent-2-en-4-ynimidamide?
The canonical SMILES for (E)-N'-ethenyl-2-prop-1-enyl-N-[(E)-3,5,7-trimethyldec-4-en-4-yl]pent-2-en-4-ynimidamide is C#C/C=C(C=CC)/C(=N\C=C)N/C(=C(\C)CC(C)CCC)C(C)CC.
What is the InChIKey of (E)-N'-ethenyl-2-prop-1-enyl-N-[(E)-3,5,7-trimethyldec-4-en-4-yl]pent-2-en-4-ynimidamide?
The InChIKey is DTDZTXLJXIXCAH-RIHPRNGISA-N. The full InChI is InChI=1S/C23H36N2/c1-9-14-18(6)17-20(8)22(19(7)12-4)25-23(24-13-5)21(15-10-2)16-11-3/h2,11,13,15-16,18-19H,5,9,12,14,17H2,1,3-4,6-8H3,(H,24,25)/b16-11?,21-15+,22-20+.
What are the key properties of (E)-N'-ethenyl-2-prop-1-enyl-N-[(E)-3,5,7-trimethyldec-4-en-4-yl]pent-2-en-4-ynimidamide?
(E)-N'-ethenyl-2-prop-1-enyl-N-[(E)-3,5,7-trimethyldec-4-en-4-yl]pent-2-en-4-ynimidamide has a molecular weight of 340.56 g/mol, XLogP of 6.40, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-ethenyl-2-prop-1-enyl-N-[(E)-3,5,7-trimethyldec-4-en-4-yl]pent-2-en-4-ynimidamide is sourced from PubChem (CID 123310112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).