[2-[(2Z,4Z)-hepta-2,4-dienyl]phenyl]methanamine

C14H19N — CID 145212114

IUPAC[2-[(2Z,4Z)-hepta-2,4-dienyl]phenyl]methanamine
SMILESCC/C=C\C=C/Cc1ccccc1CN
InChIInChI=1S/C14H19N/c1-2-3-4-5-6-9-13-10-7-8-11-14(13)12-15/h3-8,10-11H,2,9,12,15H2,1H3/b4-3-,6-5-
InChIKeyOOLGQWHGQYBRBH-OUPQRBNQSA-N
MW201.31 g/mol
LogP3.21
Rot. Bonds5

About [2-[(2Z,4Z)-hepta-2,4-dienyl]phenyl]methanamine

[2-[(2Z,4Z)-hepta-2,4-dienyl]phenyl]methanamine (PubChem CID 145212114) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is [2-[(2Z,4Z)-hepta-2,4-dienyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(2Z,4Z)-hepta-2,4-dienyl]phenyl]methanamine
PubChem CID145212114
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name[2-[(2Z,4Z)-hepta-2,4-dienyl]phenyl]methanamine
SMILESCC/C=C\C=C/Cc1ccccc1CN
InChIInChI=1S/C14H19N/c1-2-3-4-5-6-9-13-10-7-8-11-14(13)12-15/h3-8,10-11H,2,9,12,15H2,1H3/b4-3-,6-5-
InChIKeyOOLGQWHGQYBRBH-OUPQRBNQSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.21
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-[(2Z,4Z)-hepta-2,4-dienyl]phenyl]methanamine?
The IUPAC name of [2-[(2Z,4Z)-hepta-2,4-dienyl]phenyl]methanamine (CID 145212114) is [2-[(2Z,4Z)-hepta-2,4-dienyl]phenyl]methanamine.
What is the SMILES notation for [2-[(2Z,4Z)-hepta-2,4-dienyl]phenyl]methanamine?
The canonical SMILES for [2-[(2Z,4Z)-hepta-2,4-dienyl]phenyl]methanamine is CC/C=C\C=C/Cc1ccccc1CN.
What is the InChIKey of [2-[(2Z,4Z)-hepta-2,4-dienyl]phenyl]methanamine?
The InChIKey is OOLGQWHGQYBRBH-OUPQRBNQSA-N. The full InChI is InChI=1S/C14H19N/c1-2-3-4-5-6-9-13-10-7-8-11-14(13)12-15/h3-8,10-11H,2,9,12,15H2,1H3/b4-3-,6-5-.
What are the key properties of [2-[(2Z,4Z)-hepta-2,4-dienyl]phenyl]methanamine?
[2-[(2Z,4Z)-hepta-2,4-dienyl]phenyl]methanamine has a molecular weight of 201.31 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2Z,4Z)-hepta-2,4-dienyl]phenyl]methanamine is sourced from PubChem (CID 145212114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).