(4Z)-N-[(2E,4Z)-6-(1,1-difluoroethoxy)-2-methylhexa-2,4-dienyl]-N-hexan-3-yl-5-methyl-3-methylideneocta-1,4-dien-2-amine

C25H41F2NO — CID 143683527

IUPAC(4Z)-N-[(2E,4Z)-6-(1,1-difluoroethoxy)-2-methylhexa-2,4-dienyl]-N-hexan-3-yl-5-methyl-3-methylideneocta-1,4-dien-2-amine
SMILESC=C(/C=C(/C)CCC)C(=C)N(C/C(C)=C/C=C\COC(C)(F)F)C(CC)CCC
InChIInChI=1S/C25H41F2NO/c1-9-14-20(4)18-22(6)23(7)28(24(11-3)15-10-2)19-21(5)16-12-13-17-29-25(8,26)27/h12-13,16,18,24H,6-7,9-11,14-15,17,19H2,1-5,8H3/b13-12-,20-18-,21-16+
InChIKeyQKQDIDABZKTLRV-MSZMQTLLSA-N
MW409.61 g/mol
LogP7.82
Rot. Bonds15

About (4Z)-N-[(2E,4Z)-6-(1,1-difluoroethoxy)-2-methylhexa-2,4-dienyl]-N-hexan-3-yl-5-methyl-3-methylideneocta-1,4-dien-2-amine

(4Z)-N-[(2E,4Z)-6-(1,1-difluoroethoxy)-2-methylhexa-2,4-dienyl]-N-hexan-3-yl-5-methyl-3-methylideneocta-1,4-dien-2-amine (PubChem CID 143683527) has the molecular formula C25H41F2NO and a molecular weight of 409.61 g/mol. Its IUPAC name is (4Z)-N-[(2E,4Z)-6-(1,1-difluoroethoxy)-2-methylhexa-2,4-dienyl]-N-hexan-3-yl-5-methyl-3-methylideneocta-1,4-dien-2-amine.

Molecular Properties

Compound Name(4Z)-N-[(2E,4Z)-6-(1,1-difluoroethoxy)-2-methylhexa-2,4-dienyl]-N-hexan-3-yl-5-methyl-3-methylideneocta-1,4-dien-2-amine
PubChem CID143683527
Molecular FormulaC25H41F2NO
Molecular Weight409.61 g/mol
Exact Mass409.32
IUPAC Name(4Z)-N-[(2E,4Z)-6-(1,1-difluoroethoxy)-2-methylhexa-2,4-dienyl]-N-hexan-3-yl-5-methyl-3-methylideneocta-1,4-dien-2-amine
SMILESC=C(/C=C(/C)CCC)C(=C)N(C/C(C)=C/C=C\COC(C)(F)F)C(CC)CCC
InChIInChI=1S/C25H41F2NO/c1-9-14-20(4)18-22(6)23(7)28(24(11-3)15-10-2)19-21(5)16-12-13-17-29-25(8,26)27/h12-13,16,18,24H,6-7,9-11,14-15,17,19H2,1-5,8H3/b13-12-,20-18-,21-16+
InChIKeyQKQDIDABZKTLRV-MSZMQTLLSA-N
XLogP7.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.61
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4Z)-N-[(2E,4Z)-6-(1,1-difluoroethoxy)-2-methylhexa-2,4-dienyl]-N-hexan-3-yl-5-methyl-3-methylideneocta-1,4-dien-2-amine with MolForge

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Launch Full Analysis

Related Compounds

butane;(4Z)-N-[(2E,4Z)-6-(1,1-difluoroethoxy)-2-methylhexa-2,4-dienyl]-N-hexan-3-yl-5-methyl-3-methylideneocta-1,4-dien-2-amine;ethane
CID 143683526
N-[(2E,4Z)-5,6-dimethyl-1-(3-methylbutoxy)-3-(trifluoromethyl)octa-2,4-dien-4-yl]-N-ethenyl-3-methylcyclobutan-1-amine
CID 170052659
(2E,4Z)-N-[(3Z,5Z)-7-(2-fluoroethoxy)hepta-3,5-dienyl]-4-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-3-amine
CID 143936414
(2E)-N-heptyl-N-[(2E,4Z)-6-methoxyhepta-2,4-dien-3-yl]-2-methylhepta-2,6-dien-1-amine
CID 142550059

Frequently Asked Questions

What is the IUPAC name of (4Z)-N-[(2E,4Z)-6-(1,1-difluoroethoxy)-2-methylhexa-2,4-dienyl]-N-hexan-3-yl-5-methyl-3-methylideneocta-1,4-dien-2-amine?
The IUPAC name of (4Z)-N-[(2E,4Z)-6-(1,1-difluoroethoxy)-2-methylhexa-2,4-dienyl]-N-hexan-3-yl-5-methyl-3-methylideneocta-1,4-dien-2-amine (CID 143683527) is (4Z)-N-[(2E,4Z)-6-(1,1-difluoroethoxy)-2-methylhexa-2,4-dienyl]-N-hexan-3-yl-5-methyl-3-methylideneocta-1,4-dien-2-amine.
What is the SMILES notation for (4Z)-N-[(2E,4Z)-6-(1,1-difluoroethoxy)-2-methylhexa-2,4-dienyl]-N-hexan-3-yl-5-methyl-3-methylideneocta-1,4-dien-2-amine?
The canonical SMILES for (4Z)-N-[(2E,4Z)-6-(1,1-difluoroethoxy)-2-methylhexa-2,4-dienyl]-N-hexan-3-yl-5-methyl-3-methylideneocta-1,4-dien-2-amine is C=C(/C=C(/C)CCC)C(=C)N(C/C(C)=C/C=C\COC(C)(F)F)C(CC)CCC.
What is the InChIKey of (4Z)-N-[(2E,4Z)-6-(1,1-difluoroethoxy)-2-methylhexa-2,4-dienyl]-N-hexan-3-yl-5-methyl-3-methylideneocta-1,4-dien-2-amine?
The InChIKey is QKQDIDABZKTLRV-MSZMQTLLSA-N. The full InChI is InChI=1S/C25H41F2NO/c1-9-14-20(4)18-22(6)23(7)28(24(11-3)15-10-2)19-21(5)16-12-13-17-29-25(8,26)27/h12-13,16,18,24H,6-7,9-11,14-15,17,19H2,1-5,8H3/b13-12-,20-18-,21-16+.
What are the key properties of (4Z)-N-[(2E,4Z)-6-(1,1-difluoroethoxy)-2-methylhexa-2,4-dienyl]-N-hexan-3-yl-5-methyl-3-methylideneocta-1,4-dien-2-amine?
(4Z)-N-[(2E,4Z)-6-(1,1-difluoroethoxy)-2-methylhexa-2,4-dienyl]-N-hexan-3-yl-5-methyl-3-methylideneocta-1,4-dien-2-amine has a molecular weight of 409.61 g/mol, XLogP of 7.82, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-[(2E,4Z)-6-(1,1-difluoroethoxy)-2-methylhexa-2,4-dienyl]-N-hexan-3-yl-5-methyl-3-methylideneocta-1,4-dien-2-amine is sourced from PubChem (CID 143683527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).