(4Z,10Z,19Z)-docosa-4,10,19-trien-1-imine

C22H39N — CID 126738178

IUPAC(4Z,10Z,19Z)-docosa-4,10,19-trien-1-imine
SMILES[H]/N=C/CC/C=C\CCCC/C=C\CCCCCCC/C=C\CC
InChIInChI=1S/C22H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h3-4,12-13,18-19,22-23H,2,5-11,14-17,20-21H2,1H3/b4-3-,13-12-,19-18-,23-22+
InChIKeyIULKKKFYTWZZMQ-UWHWIZDSSA-N
MW317.56 g/mol
LogP7.79
Rot. Bonds17

About (4Z,10Z,19Z)-docosa-4,10,19-trien-1-imine

(4Z,10Z,19Z)-docosa-4,10,19-trien-1-imine (PubChem CID 126738178) has the molecular formula C22H39N and a molecular weight of 317.56 g/mol. Its IUPAC name is (4Z,10Z,19Z)-docosa-4,10,19-trien-1-imine.

Molecular Properties

Compound Name(4Z,10Z,19Z)-docosa-4,10,19-trien-1-imine
PubChem CID126738178
Molecular FormulaC22H39N
Molecular Weight317.56 g/mol
Exact Mass317.31
IUPAC Name(4Z,10Z,19Z)-docosa-4,10,19-trien-1-imine
SMILES[H]/N=C/CC/C=C\CCCC/C=C\CCCCCCC/C=C\CC
InChIInChI=1S/C22H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h3-4,12-13,18-19,22-23H,2,5-11,14-17,20-21H2,1H3/b4-3-,13-12-,19-18-,23-22+
InChIKeyIULKKKFYTWZZMQ-UWHWIZDSSA-N
XLogP7.79
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.56
LogP ≤ 57.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z,10Z,19Z)-docosa-4,10,19-trien-1-imine?
The IUPAC name of (4Z,10Z,19Z)-docosa-4,10,19-trien-1-imine (CID 126738178) is (4Z,10Z,19Z)-docosa-4,10,19-trien-1-imine.
What is the SMILES notation for (4Z,10Z,19Z)-docosa-4,10,19-trien-1-imine?
The canonical SMILES for (4Z,10Z,19Z)-docosa-4,10,19-trien-1-imine is [H]/N=C/CC/C=C\CCCC/C=C\CCCCCCC/C=C\CC.
What is the InChIKey of (4Z,10Z,19Z)-docosa-4,10,19-trien-1-imine?
The InChIKey is IULKKKFYTWZZMQ-UWHWIZDSSA-N. The full InChI is InChI=1S/C22H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h3-4,12-13,18-19,22-23H,2,5-11,14-17,20-21H2,1H3/b4-3-,13-12-,19-18-,23-22+.
What are the key properties of (4Z,10Z,19Z)-docosa-4,10,19-trien-1-imine?
(4Z,10Z,19Z)-docosa-4,10,19-trien-1-imine has a molecular weight of 317.56 g/mol, XLogP of 7.79, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,10Z,19Z)-docosa-4,10,19-trien-1-imine is sourced from PubChem (CID 126738178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).