(2Z,5Z,8Z,11Z,14Z,17Z)-21-methyldocosa-2,5,8,11,14,17-hexaen-1-amine

C23H37N — CID 138745104

IUPAC(2Z,5Z,8Z,11Z,14Z,17Z)-21-methyldocosa-2,5,8,11,14,17-hexaen-1-amine
SMILESCC(C)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CN
InChIInChI=1S/C23H37N/c1-23(2)21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24/h3,5-6,8-9,11-12,14-15,17-18,20,23H,4,7,10,13,16,19,21-22,24H2,1-2H3/b5-3-,8-6-,11-9-,14-12-,17-15-,20-18-
InChIKeyGMIKRDOGFYBLQO-FDOFLUAYSA-N
MW327.56 g/mol
LogP6.67
Rot. Bonds14

About (2Z,5Z,8Z,11Z,14Z,17Z)-21-methyldocosa-2,5,8,11,14,17-hexaen-1-amine

(2Z,5Z,8Z,11Z,14Z,17Z)-21-methyldocosa-2,5,8,11,14,17-hexaen-1-amine (PubChem CID 138745104) has the molecular formula C23H37N and a molecular weight of 327.56 g/mol. Its IUPAC name is (2Z,5Z,8Z,11Z,14Z,17Z)-21-methyldocosa-2,5,8,11,14,17-hexaen-1-amine.

Molecular Properties

Compound Name(2Z,5Z,8Z,11Z,14Z,17Z)-21-methyldocosa-2,5,8,11,14,17-hexaen-1-amine
PubChem CID138745104
Molecular FormulaC23H37N
Molecular Weight327.56 g/mol
Exact Mass327.29
IUPAC Name(2Z,5Z,8Z,11Z,14Z,17Z)-21-methyldocosa-2,5,8,11,14,17-hexaen-1-amine
SMILESCC(C)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CN
InChIInChI=1S/C23H37N/c1-23(2)21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24/h3,5-6,8-9,11-12,14-15,17-18,20,23H,4,7,10,13,16,19,21-22,24H2,1-2H3/b5-3-,8-6-,11-9-,14-12-,17-15-,20-18-
InChIKeyGMIKRDOGFYBLQO-FDOFLUAYSA-N
XLogP6.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.56
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,5Z,8Z,11Z,14Z,17Z)-21-methyldocosa-2,5,8,11,14,17-hexaen-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z,8Z,11Z,14Z,17Z)-21-methyldocosa-2,5,8,11,14,17-hexaen-1-amine?
The IUPAC name of (2Z,5Z,8Z,11Z,14Z,17Z)-21-methyldocosa-2,5,8,11,14,17-hexaen-1-amine (CID 138745104) is (2Z,5Z,8Z,11Z,14Z,17Z)-21-methyldocosa-2,5,8,11,14,17-hexaen-1-amine.
What is the SMILES notation for (2Z,5Z,8Z,11Z,14Z,17Z)-21-methyldocosa-2,5,8,11,14,17-hexaen-1-amine?
The canonical SMILES for (2Z,5Z,8Z,11Z,14Z,17Z)-21-methyldocosa-2,5,8,11,14,17-hexaen-1-amine is CC(C)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CN.
What is the InChIKey of (2Z,5Z,8Z,11Z,14Z,17Z)-21-methyldocosa-2,5,8,11,14,17-hexaen-1-amine?
The InChIKey is GMIKRDOGFYBLQO-FDOFLUAYSA-N. The full InChI is InChI=1S/C23H37N/c1-23(2)21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24/h3,5-6,8-9,11-12,14-15,17-18,20,23H,4,7,10,13,16,19,21-22,24H2,1-2H3/b5-3-,8-6-,11-9-,14-12-,17-15-,20-18-.
What are the key properties of (2Z,5Z,8Z,11Z,14Z,17Z)-21-methyldocosa-2,5,8,11,14,17-hexaen-1-amine?
(2Z,5Z,8Z,11Z,14Z,17Z)-21-methyldocosa-2,5,8,11,14,17-hexaen-1-amine has a molecular weight of 327.56 g/mol, XLogP of 6.67, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z,8Z,11Z,14Z,17Z)-21-methyldocosa-2,5,8,11,14,17-hexaen-1-amine is sourced from PubChem (CID 138745104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).