(4Z)-N,2,6-trimethyl-N-[1-(4-methylphenyl)ethenyl]hepta-2,4,6-trien-3-amine

C19H25N — CID 170226384

IUPAC(4Z)-N,2,6-trimethyl-N-[1-(4-methylphenyl)ethenyl]hepta-2,4,6-trien-3-amine
SMILESC=C(C)/C=C\C(=C(C)C)N(C)C(=C)c1ccc(C)cc1
InChIInChI=1S/C19H25N/c1-14(2)8-13-19(15(3)4)20(7)17(6)18-11-9-16(5)10-12-18/h8-13H,1,6H2,2-5,7H3/b13-8-
InChIKeyTXJDWFRKNDAIGH-JYRVWZFOSA-N
MW267.42 g/mol
LogP5.32
Rot. Bonds5

About (4Z)-N,2,6-trimethyl-N-[1-(4-methylphenyl)ethenyl]hepta-2,4,6-trien-3-amine

(4Z)-N,2,6-trimethyl-N-[1-(4-methylphenyl)ethenyl]hepta-2,4,6-trien-3-amine (PubChem CID 170226384) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is (4Z)-N,2,6-trimethyl-N-[1-(4-methylphenyl)ethenyl]hepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(4Z)-N,2,6-trimethyl-N-[1-(4-methylphenyl)ethenyl]hepta-2,4,6-trien-3-amine
PubChem CID170226384
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name(4Z)-N,2,6-trimethyl-N-[1-(4-methylphenyl)ethenyl]hepta-2,4,6-trien-3-amine
SMILESC=C(C)/C=C\C(=C(C)C)N(C)C(=C)c1ccc(C)cc1
InChIInChI=1S/C19H25N/c1-14(2)8-13-19(15(3)4)20(7)17(6)18-11-9-16(5)10-12-18/h8-13H,1,6H2,2-5,7H3/b13-8-
InChIKeyTXJDWFRKNDAIGH-JYRVWZFOSA-N
XLogP5.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4Z)-N,2,6-trimethyl-N-[1-(4-methylphenyl)ethenyl]hepta-2,4,6-trien-3-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

4-methyl-N-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-N-(4-methylphenyl)aniline
CID 88960776
(1Z,4E,6E,8Z)-N,6-dimethyl-3-methylidene-N-[1-(4-methylphenyl)ethenyl]deca-1,4,6,8-tetraen-1-amine
CID 143924438
ethane;(3Z)-2-methylhexa-1,3,5-triene;1,4-xylene
CID 144729160
1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776
1-methyl-4-prop-1-en-2-ylbenzene
CID 90700010
methane;2-methylbuta-1,3-diene;1,4-xylene
CID 145089492
1-[(2Z,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-4-methylbenzene
CID 143365182
(3Z)-2-bromo-5-methylhexa-1,3,5-triene;1-chloro-4-methylbenzene;ethane
CID 143560535
ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;toluene
CID 144678741
ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;1-methyl-4-(trifluoromethyl)benzene
CID 143383133
1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane
CID 123373957
1-[2,5-dimethyl-4-(4-methylphenyl)hexa-2,4-dien-3-yl]-4-methylbenzene
CID 132538169

Frequently Asked Questions

What is the IUPAC name of (4Z)-N,2,6-trimethyl-N-[1-(4-methylphenyl)ethenyl]hepta-2,4,6-trien-3-amine?
The IUPAC name of (4Z)-N,2,6-trimethyl-N-[1-(4-methylphenyl)ethenyl]hepta-2,4,6-trien-3-amine (CID 170226384) is (4Z)-N,2,6-trimethyl-N-[1-(4-methylphenyl)ethenyl]hepta-2,4,6-trien-3-amine.
What is the SMILES notation for (4Z)-N,2,6-trimethyl-N-[1-(4-methylphenyl)ethenyl]hepta-2,4,6-trien-3-amine?
The canonical SMILES for (4Z)-N,2,6-trimethyl-N-[1-(4-methylphenyl)ethenyl]hepta-2,4,6-trien-3-amine is C=C(C)/C=C\C(=C(C)C)N(C)C(=C)c1ccc(C)cc1.
What is the InChIKey of (4Z)-N,2,6-trimethyl-N-[1-(4-methylphenyl)ethenyl]hepta-2,4,6-trien-3-amine?
The InChIKey is TXJDWFRKNDAIGH-JYRVWZFOSA-N. The full InChI is InChI=1S/C19H25N/c1-14(2)8-13-19(15(3)4)20(7)17(6)18-11-9-16(5)10-12-18/h8-13H,1,6H2,2-5,7H3/b13-8-.
What are the key properties of (4Z)-N,2,6-trimethyl-N-[1-(4-methylphenyl)ethenyl]hepta-2,4,6-trien-3-amine?
(4Z)-N,2,6-trimethyl-N-[1-(4-methylphenyl)ethenyl]hepta-2,4,6-trien-3-amine has a molecular weight of 267.42 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N,2,6-trimethyl-N-[1-(4-methylphenyl)ethenyl]hepta-2,4,6-trien-3-amine is sourced from PubChem (CID 170226384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).