N-[(E)-[(3E,5Z)-2-benzylhepta-3,5-dienylidene]amino]-N-methylmethanamine

C16H22N2 — CID 14249733

IUPACN-[(E)-[(3E,5Z)-2-benzylhepta-3,5-dienylidene]amino]-N-methylmethanamine
SMILESC/C=C\C=C\C(/C=N/N(C)C)Cc1ccccc1
InChIInChI=1S/C16H22N2/c1-4-5-7-12-16(14-17-18(2)3)13-15-10-8-6-9-11-15/h4-12,14,16H,13H2,1-3H3/b5-4-,12-7+,17-14+
InChIKeyYBTIURHGYNXFOK-DZSRGMTRSA-N
MW242.37 g/mol
LogP3.53
Rot. Bonds6

About N-[(E)-[(3E,5Z)-2-benzylhepta-3,5-dienylidene]amino]-N-methylmethanamine

N-[(E)-[(3E,5Z)-2-benzylhepta-3,5-dienylidene]amino]-N-methylmethanamine (PubChem CID 14249733) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-[(E)-[(3E,5Z)-2-benzylhepta-3,5-dienylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-[(3E,5Z)-2-benzylhepta-3,5-dienylidene]amino]-N-methylmethanamine
PubChem CID14249733
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-[(E)-[(3E,5Z)-2-benzylhepta-3,5-dienylidene]amino]-N-methylmethanamine
SMILESC/C=C\C=C\C(/C=N/N(C)C)Cc1ccccc1
InChIInChI=1S/C16H22N2/c1-4-5-7-12-16(14-17-18(2)3)13-15-10-8-6-9-11-15/h4-12,14,16H,13H2,1-3H3/b5-4-,12-7+,17-14+
InChIKeyYBTIURHGYNXFOK-DZSRGMTRSA-N
XLogP3.53
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(E)-[(3E,5Z)-2-benzylhepta-3,5-dienylidene]amino]-N-methylmethanamine 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 N-[(E)-[(3E,5Z)-2-benzylhepta-3,5-dienylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[(E)-[(3E,5Z)-2-benzylhepta-3,5-dienylidene]amino]-N-methylmethanamine (CID 14249733) is N-[(E)-[(3E,5Z)-2-benzylhepta-3,5-dienylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-[(3E,5Z)-2-benzylhepta-3,5-dienylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-[(3E,5Z)-2-benzylhepta-3,5-dienylidene]amino]-N-methylmethanamine is C/C=C\C=C\C(/C=N/N(C)C)Cc1ccccc1.
What is the InChIKey of N-[(E)-[(3E,5Z)-2-benzylhepta-3,5-dienylidene]amino]-N-methylmethanamine?
The InChIKey is YBTIURHGYNXFOK-DZSRGMTRSA-N. The full InChI is InChI=1S/C16H22N2/c1-4-5-7-12-16(14-17-18(2)3)13-15-10-8-6-9-11-15/h4-12,14,16H,13H2,1-3H3/b5-4-,12-7+,17-14+.
What are the key properties of N-[(E)-[(3E,5Z)-2-benzylhepta-3,5-dienylidene]amino]-N-methylmethanamine?
N-[(E)-[(3E,5Z)-2-benzylhepta-3,5-dienylidene]amino]-N-methylmethanamine has a molecular weight of 242.37 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(3E,5Z)-2-benzylhepta-3,5-dienylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 14249733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).