(1Z,3E)-3-(4-ethylphenyl)hexa-1,3,5-trien-1-amine

C14H17N — CID 118425061

IUPAC(1Z,3E)-3-(4-ethylphenyl)hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(\C=C/N)c1ccc(CC)cc1
InChIInChI=1S/C14H17N/c1-3-5-13(10-11-15)14-8-6-12(4-2)7-9-14/h3,5-11H,1,4,15H2,2H3/b11-10-,13-5+
InChIKeyVISXLMSAXFSEMN-RUOUNYFASA-N
MW199.30 g/mol
LogP3.29
Rot. Bonds4

About (1Z,3E)-3-(4-ethylphenyl)hexa-1,3,5-trien-1-amine

(1Z,3E)-3-(4-ethylphenyl)hexa-1,3,5-trien-1-amine (PubChem CID 118425061) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is (1Z,3E)-3-(4-ethylphenyl)hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-3-(4-ethylphenyl)hexa-1,3,5-trien-1-amine
PubChem CID118425061
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name(1Z,3E)-3-(4-ethylphenyl)hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(\C=C/N)c1ccc(CC)cc1
InChIInChI=1S/C14H17N/c1-3-5-13(10-11-15)14-8-6-12(4-2)7-9-14/h3,5-11H,1,4,15H2,2H3/b11-10-,13-5+
InChIKeyVISXLMSAXFSEMN-RUOUNYFASA-N
XLogP3.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]benzene
CID 142394610
1-ethyl-3-[(3E,5E)-hepta-1,3,5-trien-4-yl]benzene
CID 145212494
1-ethyl-4-[(3E,5Z)-octa-1,3,5-trien-3-yl]benzene
CID 142515824
ethane;1-ethyl-4-[(3Z)-hexa-1,3,5-trien-2-yl]benzene
CID 143259588
1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene;[(3E,5Z)-hepta-1,3,5-trien-3-yl]benzene;1-methyl-4-phenylbenzene;[4-(4-methylphenyl)phenyl]-(4-phenylphenyl)phosphane
CID 143743025
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane
CID 142497192
ethane;(2E)-2-[(Z)-1-(4-ethylphenyl)prop-1-enyl]penta-2,4-dienenitrile
CID 142997933
5-ethyl-2-[(3E)-hexa-1,3,5-trien-3-yl]pyridine
CID 177047395
ethane;1-(4-ethylphenyl)ethenamine
CID 143067689
1-ethyl-4-(4-methylpenta-1,3-dien-3-yl)benzene
CID 143743129
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-pentylpyridin-1-ium
CID 166774716
N-[[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]methyl]propanamide
CID 129312840

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-3-(4-ethylphenyl)hexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3E)-3-(4-ethylphenyl)hexa-1,3,5-trien-1-amine (CID 118425061) is (1Z,3E)-3-(4-ethylphenyl)hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3E)-3-(4-ethylphenyl)hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3E)-3-(4-ethylphenyl)hexa-1,3,5-trien-1-amine is C=C/C=C(\C=C/N)c1ccc(CC)cc1.
What is the InChIKey of (1Z,3E)-3-(4-ethylphenyl)hexa-1,3,5-trien-1-amine?
The InChIKey is VISXLMSAXFSEMN-RUOUNYFASA-N. The full InChI is InChI=1S/C14H17N/c1-3-5-13(10-11-15)14-8-6-12(4-2)7-9-14/h3,5-11H,1,4,15H2,2H3/b11-10-,13-5+.
What are the key properties of (1Z,3E)-3-(4-ethylphenyl)hexa-1,3,5-trien-1-amine?
(1Z,3E)-3-(4-ethylphenyl)hexa-1,3,5-trien-1-amine has a molecular weight of 199.30 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-3-(4-ethylphenyl)hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 118425061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).