4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]aniline

C13H15N — CID 142183430

IUPAC4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]aniline
SMILESC=C/C=C\C(=C/C)c1ccc(N)cc1
InChIInChI=1S/C13H15N/c1-3-5-6-11(4-2)12-7-9-13(14)10-8-12/h3-10H,1,14H2,2H3/b6-5-,11-4+
InChIKeyDNCYYQJFKZRVBU-VWXLBWAMSA-N
MW185.27 g/mol
LogP3.41
Rot. Bonds3

About 4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]aniline

4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]aniline (PubChem CID 142183430) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]aniline.

Molecular Properties

Compound Name4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]aniline
PubChem CID142183430
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]aniline
SMILESC=C/C=C\C(=C/C)c1ccc(N)cc1
InChIInChI=1S/C13H15N/c1-3-5-6-11(4-2)12-7-9-13(14)10-8-12/h3-10H,1,14H2,2H3/b6-5-,11-4+
InChIKeyDNCYYQJFKZRVBU-VWXLBWAMSA-N
XLogP3.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 144639814
[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene
CID 12628363
1-ethyl-4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]benzene
CID 142394610
N-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-methyl-N-(4-phenylphenyl)aniline
CID 143445033
ethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]pyridine
CID 143793777
2-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methylpyridine
CID 145357948
(2E,4Z)-3-(4-methylphenyl)hepta-2,4,6-trien-1-ol
CID 143644627
4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-pyrazole
CID 166164658
5-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzoyl]-2,3,4-trihydroxy-6-methylcyclohepta-2,4,6-trien-1-one
CID 145387968
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-5-phenylbenzene
CID 143388590
ethenamine;1-ethyl-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]benzene;2-methylprop-1-ene;prop-1-ene
CID 142077312
4-[(Z)-1-aminoprop-1-enyl]aniline
CID 145170483

Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]aniline?
The IUPAC name of 4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]aniline (CID 142183430) is 4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]aniline.
What is the SMILES notation for 4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]aniline?
The canonical SMILES for 4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]aniline is C=C/C=C\C(=C/C)c1ccc(N)cc1.
What is the InChIKey of 4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]aniline?
The InChIKey is DNCYYQJFKZRVBU-VWXLBWAMSA-N. The full InChI is InChI=1S/C13H15N/c1-3-5-6-11(4-2)12-7-9-13(14)10-8-12/h3-10H,1,14H2,2H3/b6-5-,11-4+.
What are the key properties of 4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]aniline?
4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]aniline has a molecular weight of 185.27 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]aniline is sourced from PubChem (CID 142183430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).