3-[(11Z,14Z)-icosa-11,14-dien-2-yl]oxy-N-methylpropan-1-amine

C24H47NO — CID 87519160

IUPAC3-[(11Z,14Z)-icosa-11,14-dien-2-yl]oxy-N-methylpropan-1-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCC(C)OCCCNC
InChIInChI=1S/C24H47NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(2)26-23-20-22-25-3/h8-9,11-12,24-25H,4-7,10,13-23H2,1-3H3/b9-8-,12-11-
InChIKeyYDGQEYNXQMYGHJ-MURFETPASA-N
MW365.65 g/mol
LogP7.20
Rot. Bonds20

About 3-[(11Z,14Z)-icosa-11,14-dien-2-yl]oxy-N-methylpropan-1-amine

3-[(11Z,14Z)-icosa-11,14-dien-2-yl]oxy-N-methylpropan-1-amine (PubChem CID 87519160) has the molecular formula C24H47NO and a molecular weight of 365.65 g/mol. Its IUPAC name is 3-[(11Z,14Z)-icosa-11,14-dien-2-yl]oxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[(11Z,14Z)-icosa-11,14-dien-2-yl]oxy-N-methylpropan-1-amine
PubChem CID87519160
Molecular FormulaC24H47NO
Molecular Weight365.65 g/mol
Exact Mass365.37
IUPAC Name3-[(11Z,14Z)-icosa-11,14-dien-2-yl]oxy-N-methylpropan-1-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCC(C)OCCCNC
InChIInChI=1S/C24H47NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(2)26-23-20-22-25-3/h8-9,11-12,24-25H,4-7,10,13-23H2,1-3H3/b9-8-,12-11-
InChIKeyYDGQEYNXQMYGHJ-MURFETPASA-N
XLogP7.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.65
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(11Z,14Z)-icosa-11,14-dien-2-yl]oxy-N-methylpropan-1-amine?
The IUPAC name of 3-[(11Z,14Z)-icosa-11,14-dien-2-yl]oxy-N-methylpropan-1-amine (CID 87519160) is 3-[(11Z,14Z)-icosa-11,14-dien-2-yl]oxy-N-methylpropan-1-amine.
What is the SMILES notation for 3-[(11Z,14Z)-icosa-11,14-dien-2-yl]oxy-N-methylpropan-1-amine?
The canonical SMILES for 3-[(11Z,14Z)-icosa-11,14-dien-2-yl]oxy-N-methylpropan-1-amine is CCCCC/C=C\C/C=C\CCCCCCCCC(C)OCCCNC.
What is the InChIKey of 3-[(11Z,14Z)-icosa-11,14-dien-2-yl]oxy-N-methylpropan-1-amine?
The InChIKey is YDGQEYNXQMYGHJ-MURFETPASA-N. The full InChI is InChI=1S/C24H47NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(2)26-23-20-22-25-3/h8-9,11-12,24-25H,4-7,10,13-23H2,1-3H3/b9-8-,12-11-.
What are the key properties of 3-[(11Z,14Z)-icosa-11,14-dien-2-yl]oxy-N-methylpropan-1-amine?
3-[(11Z,14Z)-icosa-11,14-dien-2-yl]oxy-N-methylpropan-1-amine has a molecular weight of 365.65 g/mol, XLogP of 7.20, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(11Z,14Z)-icosa-11,14-dien-2-yl]oxy-N-methylpropan-1-amine is sourced from PubChem (CID 87519160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).