(3E,5Z)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hepta-1,3,5-trien-4-amine

C20H27N — CID 139420267

IUPAC(3E,5Z)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hepta-1,3,5-trien-4-amine
SMILESC=C/C=C(\C=C/C)N(C(/C=C\C)=C/C)C(/C=C\C)=C/C=C
InChIInChI=1S/C20H27N/c1-7-13-18(12-6)21(19(14-8-2)15-9-3)20(16-10-4)17-11-5/h7-17H,2,4H2,1,3,5-6H3/b13-7-,15-9-,17-11-,18-12+,19-14+,20-16+
InChIKeyHUJYSHXGODMRGS-SHMVDTNOSA-N
MW281.44 g/mol
LogP6.06
Rot. Bonds8

About (3E,5Z)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hepta-1,3,5-trien-4-amine

(3E,5Z)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hepta-1,3,5-trien-4-amine (PubChem CID 139420267) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is (3E,5Z)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5Z)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hepta-1,3,5-trien-4-amine
PubChem CID139420267
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name(3E,5Z)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hepta-1,3,5-trien-4-amine
SMILESC=C/C=C(\C=C/C)N(C(/C=C\C)=C/C)C(/C=C\C)=C/C=C
InChIInChI=1S/C20H27N/c1-7-13-18(12-6)21(19(14-8-2)15-9-3)20(16-10-4)17-11-5/h7-17H,2,4H2,1,3,5-6H3/b13-7-,15-9-,17-11-,18-12+,19-14+,20-16+
InChIKeyHUJYSHXGODMRGS-SHMVDTNOSA-N
XLogP6.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5Z)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hepta-1,3,5-trien-4-amine with MolForge

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Related Compounds

N-acetyl-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]acetamide
CID 144531341
N,N-dimethylhepta-1,3,5-trien-4-amine
CID 72511358
(3E,5E,7E,9Z)-6,7-bis(ethenyl)-N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]undeca-1,3,5,7,9-pentaen-3-amine
CID 146531240
ethane;(3E,5Z)-N-ethyl-N-[(3E)-penta-1,3-dien-3-yl]hepta-1,3,5-trien-4-amine
CID 143203776
ethane;(3E,5Z)-N-ethyl-N-propylhepta-1,3,5-trien-4-amine
CID 178019036
(3E,5Z)-N-butyl-N-methylhepta-1,3,5-trien-4-amine
CID 143005008
ethane;N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline
CID 142868290
(3E)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-amine
CID 134569652
N,N-dimethylmethanamine;(3E,5Z)-hepta-1,3,5-trien-4-amine
CID 144734718
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725
propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene
CID 143651334
N-[(E)-but-2-en-2-yl]-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-[(3E)-hexa-1,3,5-trien-3-yl]amino]phenyl]phenyl]aniline
CID 143515977

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hepta-1,3,5-trien-4-amine?
The IUPAC name of (3E,5Z)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hepta-1,3,5-trien-4-amine (CID 139420267) is (3E,5Z)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5Z)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hepta-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5Z)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hepta-1,3,5-trien-4-amine is C=C/C=C(\C=C/C)N(C(/C=C\C)=C/C)C(/C=C\C)=C/C=C.
What is the InChIKey of (3E,5Z)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hepta-1,3,5-trien-4-amine?
The InChIKey is HUJYSHXGODMRGS-SHMVDTNOSA-N. The full InChI is InChI=1S/C20H27N/c1-7-13-18(12-6)21(19(14-8-2)15-9-3)20(16-10-4)17-11-5/h7-17H,2,4H2,1,3,5-6H3/b13-7-,15-9-,17-11-,18-12+,19-14+,20-16+.
What are the key properties of (3E,5Z)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hepta-1,3,5-trien-4-amine?
(3E,5Z)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hepta-1,3,5-trien-4-amine has a molecular weight of 281.44 g/mol, XLogP of 6.06, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hepta-1,3,5-trien-4-amine is sourced from PubChem (CID 139420267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).