2-(14-cyclohexa-1,5-dien-1-yltetradecoxy)ethanamine

C22H41NO — CID 165397752

IUPAC2-(14-cyclohexa-1,5-dien-1-yltetradecoxy)ethanamine
SMILESNCCOCCCCCCCCCCCCCCC1=CCCC=C1
InChIInChI=1S/C22H41NO/c23-19-21-24-20-15-10-8-6-4-2-1-3-5-7-9-12-16-22-17-13-11-14-18-22/h13,17-18H,1-12,14-16,19-21,23H2
InChIKeyPYIWNIGYRZISLN-UHFFFAOYSA-N
MW335.58 g/mol
LogP6.31
Rot. Bonds17

About 2-(14-cyclohexa-1,5-dien-1-yltetradecoxy)ethanamine

2-(14-cyclohexa-1,5-dien-1-yltetradecoxy)ethanamine (PubChem CID 165397752) has the molecular formula C22H41NO and a molecular weight of 335.58 g/mol. Its IUPAC name is 2-(14-cyclohexa-1,5-dien-1-yltetradecoxy)ethanamine.

Molecular Properties

Compound Name2-(14-cyclohexa-1,5-dien-1-yltetradecoxy)ethanamine
PubChem CID165397752
Molecular FormulaC22H41NO
Molecular Weight335.58 g/mol
Exact Mass335.32
IUPAC Name2-(14-cyclohexa-1,5-dien-1-yltetradecoxy)ethanamine
SMILESNCCOCCCCCCCCCCCCCCC1=CCCC=C1
InChIInChI=1S/C22H41NO/c23-19-21-24-20-15-10-8-6-4-2-1-3-5-7-9-12-16-22-17-13-11-14-18-22/h13,17-18H,1-12,14-16,19-21,23H2
InChIKeyPYIWNIGYRZISLN-UHFFFAOYSA-N
XLogP6.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(14-cyclohexa-1,5-dien-1-yltetradecoxy)ethanamine?
The IUPAC name of 2-(14-cyclohexa-1,5-dien-1-yltetradecoxy)ethanamine (CID 165397752) is 2-(14-cyclohexa-1,5-dien-1-yltetradecoxy)ethanamine.
What is the SMILES notation for 2-(14-cyclohexa-1,5-dien-1-yltetradecoxy)ethanamine?
The canonical SMILES for 2-(14-cyclohexa-1,5-dien-1-yltetradecoxy)ethanamine is NCCOCCCCCCCCCCCCCCC1=CCCC=C1.
What is the InChIKey of 2-(14-cyclohexa-1,5-dien-1-yltetradecoxy)ethanamine?
The InChIKey is PYIWNIGYRZISLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO/c23-19-21-24-20-15-10-8-6-4-2-1-3-5-7-9-12-16-22-17-13-11-14-18-22/h13,17-18H,1-12,14-16,19-21,23H2.
What are the key properties of 2-(14-cyclohexa-1,5-dien-1-yltetradecoxy)ethanamine?
2-(14-cyclohexa-1,5-dien-1-yltetradecoxy)ethanamine has a molecular weight of 335.58 g/mol, XLogP of 6.31, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(14-cyclohexa-1,5-dien-1-yltetradecoxy)ethanamine is sourced from PubChem (CID 165397752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).