(5Z)-6-ethenyl-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methyltrideca-1,5-dien-2-amine

C22H37N — CID 139363670

IUPAC(5Z)-6-ethenyl-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methyltrideca-1,5-dien-2-amine
SMILESC=C/C(=C\CCC(=C)N(C)/C(C)=C/C=C\C)CCCCCCC
InChIInChI=1S/C22H37N/c1-7-10-12-13-14-18-22(9-3)19-15-17-21(5)23(6)20(4)16-11-8-2/h8-9,11,16,19H,3,5,7,10,12-15,17-18H2,1-2,4,6H3/b11-8-,20-16+,22-19+
InChIKeyFRZXZQSTFJRMBD-XWWHUCFXSA-N
MW315.55 g/mol
LogP7.16
Rot. Bonds13

About (5Z)-6-ethenyl-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methyltrideca-1,5-dien-2-amine

(5Z)-6-ethenyl-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methyltrideca-1,5-dien-2-amine (PubChem CID 139363670) has the molecular formula C22H37N and a molecular weight of 315.55 g/mol. Its IUPAC name is (5Z)-6-ethenyl-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methyltrideca-1,5-dien-2-amine.

Molecular Properties

Compound Name(5Z)-6-ethenyl-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methyltrideca-1,5-dien-2-amine
PubChem CID139363670
Molecular FormulaC22H37N
Molecular Weight315.55 g/mol
Exact Mass315.29
IUPAC Name(5Z)-6-ethenyl-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methyltrideca-1,5-dien-2-amine
SMILESC=C/C(=C\CCC(=C)N(C)/C(C)=C/C=C\C)CCCCCCC
InChIInChI=1S/C22H37N/c1-7-10-12-13-14-18-22(9-3)19-15-17-21(5)23(6)20(4)16-11-8-2/h8-9,11,16,19H,3,5,7,10,12-15,17-18H2,1-2,4,6H3/b11-8-,20-16+,22-19+
InChIKeyFRZXZQSTFJRMBD-XWWHUCFXSA-N
XLogP7.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.55
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5Z)-6-ethenyl-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methyltrideca-1,5-dien-2-amine with MolForge

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Related Compounds

3-ethylideneoct-1-ene
CID 91511297
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(2E,4E)-5-methyldodeca-2,4-diene
CID 143978306
(2E,4E)-5-methyldeca-2,4-diene
CID 14899750
(2E,4Z)-N-methyl-N-prop-1-en-2-ylnona-2,4-dien-2-amine
CID 134186425
(1E,3Z)-4-ethenyl-1-fluoronona-1,3-diene
CID 158832591
2-methylbuta-1,3-diene;octanoic acid
CID 87329143
(3Z,5Z)-5-ethylidenedodeca-1,3-diene
CID 143713569
N-(2-ethenyloct-1-enyl)acetamide
CID 71377368
3-methylidenetridec-1-ene
CID 3776253
(2Z,8Z,10Z)-8-ethenyl-3-methyldodeca-2,8,10-trienenitrile
CID 142155560
octadeca-2,4,6-trien-8-one
CID 154172928

Frequently Asked Questions

What is the IUPAC name of (5Z)-6-ethenyl-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methyltrideca-1,5-dien-2-amine?
The IUPAC name of (5Z)-6-ethenyl-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methyltrideca-1,5-dien-2-amine (CID 139363670) is (5Z)-6-ethenyl-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methyltrideca-1,5-dien-2-amine.
What is the SMILES notation for (5Z)-6-ethenyl-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methyltrideca-1,5-dien-2-amine?
The canonical SMILES for (5Z)-6-ethenyl-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methyltrideca-1,5-dien-2-amine is C=C/C(=C\CCC(=C)N(C)/C(C)=C/C=C\C)CCCCCCC.
What is the InChIKey of (5Z)-6-ethenyl-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methyltrideca-1,5-dien-2-amine?
The InChIKey is FRZXZQSTFJRMBD-XWWHUCFXSA-N. The full InChI is InChI=1S/C22H37N/c1-7-10-12-13-14-18-22(9-3)19-15-17-21(5)23(6)20(4)16-11-8-2/h8-9,11,16,19H,3,5,7,10,12-15,17-18H2,1-2,4,6H3/b11-8-,20-16+,22-19+.
What are the key properties of (5Z)-6-ethenyl-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methyltrideca-1,5-dien-2-amine?
(5Z)-6-ethenyl-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methyltrideca-1,5-dien-2-amine has a molecular weight of 315.55 g/mol, XLogP of 7.16, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-6-ethenyl-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methyltrideca-1,5-dien-2-amine is sourced from PubChem (CID 139363670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).