(2E,4Z,7Z,9Z)-7-ethenyl-N,10-dimethyl-9-(2-methylprop-1-enyl)-4-[(3Z)-penta-1,3-dien-3-yl]dodeca-2,4,7,9-tetraen-11-yn-2-amine

C25H33N — CID 142584841

IUPAC(2E,4Z,7Z,9Z)-7-ethenyl-N,10-dimethyl-9-(2-methylprop-1-enyl)-4-[(3Z)-penta-1,3-dien-3-yl]dodeca-2,4,7,9-tetraen-11-yn-2-amine
SMILESC#C/C(C)=C(C=C(C)C)\C=C(/C=C)CC=C(/C=C(\C)NC)/C(C=C)=C\C
InChIInChI=1S/C25H33N/c1-10-20(7)25(16-19(5)6)18-22(11-2)14-15-24(17-21(8)26-9)23(12-3)13-4/h1,11-13,15-18,26H,2-3,14H2,4-9H3/b21-17+,22-18+,23-13-,24-15-,25-20-
InChIKeyHIXRQQQOWDHFLI-XZPDLPOPSA-N
MW347.55 g/mol
LogP6.59
Rot. Bonds9

About (2E,4Z,7Z,9Z)-7-ethenyl-N,10-dimethyl-9-(2-methylprop-1-enyl)-4-[(3Z)-penta-1,3-dien-3-yl]dodeca-2,4,7,9-tetraen-11-yn-2-amine

(2E,4Z,7Z,9Z)-7-ethenyl-N,10-dimethyl-9-(2-methylprop-1-enyl)-4-[(3Z)-penta-1,3-dien-3-yl]dodeca-2,4,7,9-tetraen-11-yn-2-amine (PubChem CID 142584841) has the molecular formula C25H33N and a molecular weight of 347.55 g/mol. Its IUPAC name is (2E,4Z,7Z,9Z)-7-ethenyl-N,10-dimethyl-9-(2-methylprop-1-enyl)-4-[(3Z)-penta-1,3-dien-3-yl]dodeca-2,4,7,9-tetraen-11-yn-2-amine.

Molecular Properties

Compound Name(2E,4Z,7Z,9Z)-7-ethenyl-N,10-dimethyl-9-(2-methylprop-1-enyl)-4-[(3Z)-penta-1,3-dien-3-yl]dodeca-2,4,7,9-tetraen-11-yn-2-amine
PubChem CID142584841
Molecular FormulaC25H33N
Molecular Weight347.55 g/mol
Exact Mass347.26
IUPAC Name(2E,4Z,7Z,9Z)-7-ethenyl-N,10-dimethyl-9-(2-methylprop-1-enyl)-4-[(3Z)-penta-1,3-dien-3-yl]dodeca-2,4,7,9-tetraen-11-yn-2-amine
SMILESC#C/C(C)=C(C=C(C)C)\C=C(/C=C)CC=C(/C=C(\C)NC)/C(C=C)=C\C
InChIInChI=1S/C25H33N/c1-10-20(7)25(16-19(5)6)18-22(11-2)14-15-24(17-21(8)26-9)23(12-3)13-4/h1,11-13,15-18,26H,2-3,14H2,4-9H3/b21-17+,22-18+,23-13-,24-15-,25-20-
InChIKeyHIXRQQQOWDHFLI-XZPDLPOPSA-N
XLogP6.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.55
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2E,4Z,7Z,9Z)-7-ethenyl-N,10-dimethyl-9-(2-methylprop-1-enyl)-4-[(3Z)-penta-1,3-dien-3-yl]dodeca-2,4,7,9-tetraen-11-yn-2-amine with MolForge

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Related Compounds

ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 143132046
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 142009215
acetylene;(2E,4Z,7Z)-7-N-methyl-4-[(3Z)-penta-1,3-dien-3-yl]-7-N-prop-1-en-2-ylnona-2,4,7-triene-2,7-diamine
CID 142583808
(3E,4E)-3-ethylidene-4-methylhepta-1,4-diene
CID 143688525
(2Z,4E,5Z)-6-ethyl-4-ethylidene-N,5-dimethyldeca-2,5-dien-2-amine
CID 126728200
(2E,4Z)-4-ethenyl-N-methylhexa-2,4-dien-3-amine
CID 126553029
(2E,4Z)-2-ethenyl-5-(methylamino)hexa-2,4-dienoic acid
CID 166647606
3-penta-1,3-dien-3-ylhexa-1,3-dien-1-one
CID 141087599
4-ethenylhexa-1,4-diene
CID 85441048
ethane;ethene;(Z)-3-ethenyl-N-methylpent-3-en-1-amine
CID 142873485
ethene;(E)-2-ethenyl-N-methylbut-2-en-1-amine
CID 143499023
2-ethenyl-4-methylidenehex-2-en-5-yn-1-amine
CID 162268254

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,7Z,9Z)-7-ethenyl-N,10-dimethyl-9-(2-methylprop-1-enyl)-4-[(3Z)-penta-1,3-dien-3-yl]dodeca-2,4,7,9-tetraen-11-yn-2-amine?
The IUPAC name of (2E,4Z,7Z,9Z)-7-ethenyl-N,10-dimethyl-9-(2-methylprop-1-enyl)-4-[(3Z)-penta-1,3-dien-3-yl]dodeca-2,4,7,9-tetraen-11-yn-2-amine (CID 142584841) is (2E,4Z,7Z,9Z)-7-ethenyl-N,10-dimethyl-9-(2-methylprop-1-enyl)-4-[(3Z)-penta-1,3-dien-3-yl]dodeca-2,4,7,9-tetraen-11-yn-2-amine.
What is the SMILES notation for (2E,4Z,7Z,9Z)-7-ethenyl-N,10-dimethyl-9-(2-methylprop-1-enyl)-4-[(3Z)-penta-1,3-dien-3-yl]dodeca-2,4,7,9-tetraen-11-yn-2-amine?
The canonical SMILES for (2E,4Z,7Z,9Z)-7-ethenyl-N,10-dimethyl-9-(2-methylprop-1-enyl)-4-[(3Z)-penta-1,3-dien-3-yl]dodeca-2,4,7,9-tetraen-11-yn-2-amine is C#C/C(C)=C(C=C(C)C)\C=C(/C=C)CC=C(/C=C(\C)NC)/C(C=C)=C\C.
What is the InChIKey of (2E,4Z,7Z,9Z)-7-ethenyl-N,10-dimethyl-9-(2-methylprop-1-enyl)-4-[(3Z)-penta-1,3-dien-3-yl]dodeca-2,4,7,9-tetraen-11-yn-2-amine?
The InChIKey is HIXRQQQOWDHFLI-XZPDLPOPSA-N. The full InChI is InChI=1S/C25H33N/c1-10-20(7)25(16-19(5)6)18-22(11-2)14-15-24(17-21(8)26-9)23(12-3)13-4/h1,11-13,15-18,26H,2-3,14H2,4-9H3/b21-17+,22-18+,23-13-,24-15-,25-20-.
What are the key properties of (2E,4Z,7Z,9Z)-7-ethenyl-N,10-dimethyl-9-(2-methylprop-1-enyl)-4-[(3Z)-penta-1,3-dien-3-yl]dodeca-2,4,7,9-tetraen-11-yn-2-amine?
(2E,4Z,7Z,9Z)-7-ethenyl-N,10-dimethyl-9-(2-methylprop-1-enyl)-4-[(3Z)-penta-1,3-dien-3-yl]dodeca-2,4,7,9-tetraen-11-yn-2-amine has a molecular weight of 347.55 g/mol, XLogP of 6.59, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,7Z,9Z)-7-ethenyl-N,10-dimethyl-9-(2-methylprop-1-enyl)-4-[(3Z)-penta-1,3-dien-3-yl]dodeca-2,4,7,9-tetraen-11-yn-2-amine is sourced from PubChem (CID 142584841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).