(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraen-1-amine

C23H40FN — CID 172690307

IUPAC(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraen-1-amine
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)CNCCF
InChIInChI=1S/C23H40FN/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(2)22-25-21-20-24/h7-8,10-11,13-14,16-17,23,25H,3-6,9,12,15,18-22H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
InChIKeyBOXFRQUVAYQDOL-ZKWNWVNESA-N
MW349.58 g/mol
LogP6.94
Rot. Bonds17

About (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraen-1-amine

(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraen-1-amine (PubChem CID 172690307) has the molecular formula C23H40FN and a molecular weight of 349.58 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraen-1-amine.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraen-1-amine
PubChem CID172690307
Molecular FormulaC23H40FN
Molecular Weight349.58 g/mol
Exact Mass349.31
IUPAC Name(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraen-1-amine
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)CNCCF
InChIInChI=1S/C23H40FN/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(2)22-25-21-20-24/h7-8,10-11,13-14,16-17,23,25H,3-6,9,12,15,18-22H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
InChIKeyBOXFRQUVAYQDOL-ZKWNWVNESA-N
XLogP6.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.58
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraen-1-amine?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraen-1-amine (CID 172690307) is (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraen-1-amine.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraen-1-amine?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraen-1-amine is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC(C)CNCCF.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraen-1-amine?
The InChIKey is BOXFRQUVAYQDOL-ZKWNWVNESA-N. The full InChI is InChI=1S/C23H40FN/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(2)22-25-21-20-24/h7-8,10-11,13-14,16-17,23,25H,3-6,9,12,15,18-22H2,1-2H3/b8-7-,11-10-,14-13-,17-16-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraen-1-amine?
(5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraen-1-amine has a molecular weight of 349.58 g/mol, XLogP of 6.94, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-N-(2-fluoroethyl)-2-methylicosa-5,8,11,14-tetraen-1-amine is sourced from PubChem (CID 172690307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).