(1Z,3Z)-5-(2,4-dimethylphenyl)-2-ethyl-N-methylhexa-1,3,5-trien-1-amine

C17H23N — CID 121342878

IUPAC(1Z,3Z)-5-(2,4-dimethylphenyl)-2-ethyl-N-methylhexa-1,3,5-trien-1-amine
SMILESC=C(/C=C\C(=C/NC)CC)c1ccc(C)cc1C
InChIInChI=1S/C17H23N/c1-6-16(12-18-5)9-8-14(3)17-10-7-13(2)11-15(17)4/h7-12,18H,3,6H2,1-2,4-5H3/b9-8-,16-12-
InChIKeyZQIIMRKFAORKRB-ADLJINCESA-N
MW241.38 g/mol
LogP4.39
Rot. Bonds5

About (1Z,3Z)-5-(2,4-dimethylphenyl)-2-ethyl-N-methylhexa-1,3,5-trien-1-amine

(1Z,3Z)-5-(2,4-dimethylphenyl)-2-ethyl-N-methylhexa-1,3,5-trien-1-amine (PubChem CID 121342878) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is (1Z,3Z)-5-(2,4-dimethylphenyl)-2-ethyl-N-methylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-5-(2,4-dimethylphenyl)-2-ethyl-N-methylhexa-1,3,5-trien-1-amine
PubChem CID121342878
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC Name(1Z,3Z)-5-(2,4-dimethylphenyl)-2-ethyl-N-methylhexa-1,3,5-trien-1-amine
SMILESC=C(/C=C\C(=C/NC)CC)c1ccc(C)cc1C
InChIInChI=1S/C17H23N/c1-6-16(12-18-5)9-8-14(3)17-10-7-13(2)11-15(17)4/h7-12,18H,3,6H2,1-2,4-5H3/b9-8-,16-12-
InChIKeyZQIIMRKFAORKRB-ADLJINCESA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z,3Z)-5-(2,4-dimethylphenyl)-2-ethyl-N-methylhexa-1,3,5-trien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1Z,3Z)-5-(2,4-dimethylphenyl)-N,2-dimethylhexa-1,3,5-trien-1-amine
CID 121342877
(1Z,3Z)-5-(2,4-dimethylphenyl)-N-methyl-2-propan-2-ylhexa-1,3,5-trien-1-amine
CID 118883021
1-[(1E)-3-(2,4-dimethylphenyl)-1-methoxybuta-1,3-dienyl]-2,4-dimethylbenzene
CID 89138571
1-(2,4-dimethylphenyl)-2-fluoroprop-2-en-1-one
CID 11194655
1-[1-(4-ethylphenyl)ethenyl]-2,4-dimethylbenzene
CID 123269031
1-[1-(2-ethylphenyl)ethenyl]-2,4-dimethylbenzene
CID 54132203
(3Z)-5-(4-hydroxy-2-methylphenyl)-2-methylidenehexa-3,5-dienenitrile
CID 144813061
N-ethyl-N,2,4-trimethylbenzamide
CID 59887663
2,4-dimethyl-1-[(3Z)-3-(4-methylphenyl)penta-1,3-dien-2-yl]benzene
CID 144777927
(1Z)-1-(2,4-dimethylphenyl)buta-1,3-diene-1,2-diol
CID 146991450
1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene
CID 143717580
2,4-dimethyl-N-(pentan-3-ylideneamino)benzamide
CID 5131635

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-5-(2,4-dimethylphenyl)-2-ethyl-N-methylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-5-(2,4-dimethylphenyl)-2-ethyl-N-methylhexa-1,3,5-trien-1-amine (CID 121342878) is (1Z,3Z)-5-(2,4-dimethylphenyl)-2-ethyl-N-methylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-5-(2,4-dimethylphenyl)-2-ethyl-N-methylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-5-(2,4-dimethylphenyl)-2-ethyl-N-methylhexa-1,3,5-trien-1-amine is C=C(/C=C\C(=C/NC)CC)c1ccc(C)cc1C.
What is the InChIKey of (1Z,3Z)-5-(2,4-dimethylphenyl)-2-ethyl-N-methylhexa-1,3,5-trien-1-amine?
The InChIKey is ZQIIMRKFAORKRB-ADLJINCESA-N. The full InChI is InChI=1S/C17H23N/c1-6-16(12-18-5)9-8-14(3)17-10-7-13(2)11-15(17)4/h7-12,18H,3,6H2,1-2,4-5H3/b9-8-,16-12-.
What are the key properties of (1Z,3Z)-5-(2,4-dimethylphenyl)-2-ethyl-N-methylhexa-1,3,5-trien-1-amine?
(1Z,3Z)-5-(2,4-dimethylphenyl)-2-ethyl-N-methylhexa-1,3,5-trien-1-amine has a molecular weight of 241.38 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5-(2,4-dimethylphenyl)-2-ethyl-N-methylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 121342878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).