2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-methylaniline

C14H17N — CID 145370684

IUPAC2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-methylaniline
SMILESC=C/C=C\C(=C/C)c1ccccc1NC
InChIInChI=1S/C14H17N/c1-4-6-9-12(5-2)13-10-7-8-11-14(13)15-3/h4-11,15H,1H2,2-3H3/b9-6-,12-5+
InChIKeyCSXZLZNUNRMOLQ-XICQONQWSA-N
MW199.30 g/mol
LogP3.87
Rot. Bonds4

About 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-methylaniline

2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-methylaniline (PubChem CID 145370684) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-methylaniline.

Molecular Properties

Compound Name2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-methylaniline
PubChem CID145370684
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-methylaniline
SMILESC=C/C=C\C(=C/C)c1ccccc1NC
InChIInChI=1S/C14H17N/c1-4-6-9-12(5-2)13-10-7-8-11-14(13)15-3/h4-11,15H,1H2,2-3H3/b9-6-,12-5+
InChIKeyCSXZLZNUNRMOLQ-XICQONQWSA-N
XLogP3.87
TPSA12.03 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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-methylaniline?
The IUPAC name of 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-methylaniline (CID 145370684) is 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-methylaniline.
What is the SMILES notation for 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-methylaniline?
The canonical SMILES for 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-methylaniline is C=C/C=C\C(=C/C)c1ccccc1NC.
What is the InChIKey of 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-methylaniline?
The InChIKey is CSXZLZNUNRMOLQ-XICQONQWSA-N. The full InChI is InChI=1S/C14H17N/c1-4-6-9-12(5-2)13-10-7-8-11-14(13)15-3/h4-11,15H,1H2,2-3H3/b9-6-,12-5+.
What are the key properties of 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-methylaniline?
2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-methylaniline has a molecular weight of 199.30 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-methylaniline is sourced from PubChem (CID 145370684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).