(3E)-N-ethyl-6-methyl-N-[(3-methylphenyl)methyl]hepta-1,3,5-trien-4-amine

C18H25N — CID 145317749

IUPAC(3E)-N-ethyl-6-methyl-N-[(3-methylphenyl)methyl]hepta-1,3,5-trien-4-amine
SMILESC=C/C=C(\C=C(C)C)N(CC)Cc1cccc(C)c1
InChIInChI=1S/C18H25N/c1-6-9-18(12-15(3)4)19(7-2)14-17-11-8-10-16(5)13-17/h6,8-13H,1,7,14H2,2-5H3/b18-9+
InChIKeyQSFVPQVPTZOEPT-GIJQJNRQSA-N
MW255.40 g/mol
LogP4.85
Rot. Bonds6

About (3E)-N-ethyl-6-methyl-N-[(3-methylphenyl)methyl]hepta-1,3,5-trien-4-amine

(3E)-N-ethyl-6-methyl-N-[(3-methylphenyl)methyl]hepta-1,3,5-trien-4-amine (PubChem CID 145317749) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is (3E)-N-ethyl-6-methyl-N-[(3-methylphenyl)methyl]hepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E)-N-ethyl-6-methyl-N-[(3-methylphenyl)methyl]hepta-1,3,5-trien-4-amine
PubChem CID145317749
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC Name(3E)-N-ethyl-6-methyl-N-[(3-methylphenyl)methyl]hepta-1,3,5-trien-4-amine
SMILESC=C/C=C(\C=C(C)C)N(CC)Cc1cccc(C)c1
InChIInChI=1S/C18H25N/c1-6-9-18(12-15(3)4)19(7-2)14-17-11-8-10-16(5)13-17/h6,8-13H,1,7,14H2,2-5H3/b18-9+
InChIKeyQSFVPQVPTZOEPT-GIJQJNRQSA-N
XLogP4.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E)-N-ethyl-6-methyl-N-[(3-methylphenyl)methyl]hepta-1,3,5-trien-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E)-N-ethyl-6-methyl-N-[(3-methylphenyl)methyl]hepta-1,3,5-trien-4-amine?
The IUPAC name of (3E)-N-ethyl-6-methyl-N-[(3-methylphenyl)methyl]hepta-1,3,5-trien-4-amine (CID 145317749) is (3E)-N-ethyl-6-methyl-N-[(3-methylphenyl)methyl]hepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3E)-N-ethyl-6-methyl-N-[(3-methylphenyl)methyl]hepta-1,3,5-trien-4-amine?
The canonical SMILES for (3E)-N-ethyl-6-methyl-N-[(3-methylphenyl)methyl]hepta-1,3,5-trien-4-amine is C=C/C=C(\C=C(C)C)N(CC)Cc1cccc(C)c1.
What is the InChIKey of (3E)-N-ethyl-6-methyl-N-[(3-methylphenyl)methyl]hepta-1,3,5-trien-4-amine?
The InChIKey is QSFVPQVPTZOEPT-GIJQJNRQSA-N. The full InChI is InChI=1S/C18H25N/c1-6-9-18(12-15(3)4)19(7-2)14-17-11-8-10-16(5)13-17/h6,8-13H,1,7,14H2,2-5H3/b18-9+.
What are the key properties of (3E)-N-ethyl-6-methyl-N-[(3-methylphenyl)methyl]hepta-1,3,5-trien-4-amine?
(3E)-N-ethyl-6-methyl-N-[(3-methylphenyl)methyl]hepta-1,3,5-trien-4-amine has a molecular weight of 255.40 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-ethyl-6-methyl-N-[(3-methylphenyl)methyl]hepta-1,3,5-trien-4-amine is sourced from PubChem (CID 145317749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).