ethane;N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline

C24H39N — CID 142868290

IUPACethane;N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline
SMILESC=C/C=C(\C=C)N(C(/C=C\C)=C/C)c1ccccc1.CC.CC.CC
InChIInChI=1S/C18H21N.3C2H6/c1-5-12-16(7-3)19(17(8-4)13-6-2)18-14-10-9-11-15-18;3*1-2/h5-15H,1,3H2,2,4H3;3*1-2H3/b13-6-,16-12+,17-8+;;;
InChIKeyGHNQISZXRCVJTI-OHSHLTPYSA-N
MW341.58 g/mol
LogP8.31
Rot. Bonds6

About ethane;N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline

ethane;N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline (PubChem CID 142868290) has the molecular formula C24H39N and a molecular weight of 341.58 g/mol. Its IUPAC name is ethane;N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline.

Molecular Properties

Compound Nameethane;N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline
PubChem CID142868290
Molecular FormulaC24H39N
Molecular Weight341.58 g/mol
Exact Mass341.31
IUPAC Nameethane;N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline
SMILESC=C/C=C(\C=C)N(C(/C=C\C)=C/C)c1ccccc1.CC.CC.CC
InChIInChI=1S/C18H21N.3C2H6/c1-5-12-16(7-3)19(17(8-4)13-6-2)18-14-10-9-11-15-18;3*1-2/h5-15H,1,3H2,2,4H3;3*1-2H3/b13-6-,16-12+,17-8+;;;
InChIKeyGHNQISZXRCVJTI-OHSHLTPYSA-N
XLogP8.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E,6E,8E)-5-ethenyl-2-N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyl-2-N,9-N-diphenylundeca-2,4,6,8,10-pentaene-2,9-diamine
CID 167206123
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]aniline
CID 163504442
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]amino]phenyl]phenyl]-N-phenylaniline
CID 155279550
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
ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-N-methylaniline
CID 144531022
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-methyl-N-phenylaniline
CID 143789857
4-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-N-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anilino)phenyl]-1-N-[4-(N-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 154968336
N-[(3Z,6E,8E,9Z)-8-ethylidene-5-methylideneundeca-1,3,6,9-tetraen-2-yl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]aniline
CID 126671211
ethane;N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenylhydroxylamine
CID 144754193
ethane;N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-[4-[4-[[(2E,4Z)-hexa-2,4-dien-3-yl]-[(3E)-hexa-1,3-dien-3-yl]amino]phenyl]phenyl]-N-[(2E)-penta-2,4-dien-2-yl]aniline
CID 144687212
N-[(2E,4Z)-6-[10-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anthracen-9-yl]hexa-2,4-dien-3-yl]-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]aniline
CID 142935509
ethane;(3E,5Z)-N-ethyl-N-[(3E)-penta-1,3-dien-3-yl]hepta-1,3,5-trien-4-amine
CID 143203776

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline?
The IUPAC name of ethane;N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline (CID 142868290) is ethane;N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline.
What is the SMILES notation for ethane;N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline?
The canonical SMILES for ethane;N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline is C=C/C=C(\C=C)N(C(/C=C\C)=C/C)c1ccccc1.CC.CC.CC.
What is the InChIKey of ethane;N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline?
The InChIKey is GHNQISZXRCVJTI-OHSHLTPYSA-N. The full InChI is InChI=1S/C18H21N.3C2H6/c1-5-12-16(7-3)19(17(8-4)13-6-2)18-14-10-9-11-15-18;3*1-2/h5-15H,1,3H2,2,4H3;3*1-2H3/b13-6-,16-12+,17-8+;;;.
What are the key properties of ethane;N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline?
ethane;N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline has a molecular weight of 341.58 g/mol, XLogP of 8.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-hexa-1,3,5-trien-3-yl]aniline is sourced from PubChem (CID 142868290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).