(13Z,16Z)-N,N-dimethyldocosa-13,16-dien-5-amine

C24H47N — CID 56944146

IUPAC(13Z,16Z)-N,N-dimethyldocosa-13,16-dien-5-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(CCCC)N(C)C
InChIInChI=1S/C24H47N/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(25(3)4)22-8-6-2/h11-12,14-15,24H,5-10,13,16-23H2,1-4H3/b12-11-,15-14-
InChIKeyVKRSOPFWJRDTME-HDXUUTQWSA-N
MW349.65 g/mol
LogP7.92
Rot. Bonds18

About (13Z,16Z)-N,N-dimethyldocosa-13,16-dien-5-amine

(13Z,16Z)-N,N-dimethyldocosa-13,16-dien-5-amine (PubChem CID 56944146) has the molecular formula C24H47N and a molecular weight of 349.65 g/mol. Its IUPAC name is (13Z,16Z)-N,N-dimethyldocosa-13,16-dien-5-amine.

Molecular Properties

Compound Name(13Z,16Z)-N,N-dimethyldocosa-13,16-dien-5-amine
PubChem CID56944146
Molecular FormulaC24H47N
Molecular Weight349.65 g/mol
Exact Mass349.37
IUPAC Name(13Z,16Z)-N,N-dimethyldocosa-13,16-dien-5-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(CCCC)N(C)C
InChIInChI=1S/C24H47N/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(25(3)4)22-8-6-2/h11-12,14-15,24H,5-10,13,16-23H2,1-4H3/b12-11-,15-14-
InChIKeyVKRSOPFWJRDTME-HDXUUTQWSA-N
XLogP7.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.65
LogP ≤ 57.92
H-Bond Donors ≤ 50
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 (13Z,16Z)-N,N-dimethyldocosa-13,16-dien-5-amine?
The IUPAC name of (13Z,16Z)-N,N-dimethyldocosa-13,16-dien-5-amine (CID 56944146) is (13Z,16Z)-N,N-dimethyldocosa-13,16-dien-5-amine.
What is the SMILES notation for (13Z,16Z)-N,N-dimethyldocosa-13,16-dien-5-amine?
The canonical SMILES for (13Z,16Z)-N,N-dimethyldocosa-13,16-dien-5-amine is CCCCC/C=C\C/C=C\CCCCCCCC(CCCC)N(C)C.
What is the InChIKey of (13Z,16Z)-N,N-dimethyldocosa-13,16-dien-5-amine?
The InChIKey is VKRSOPFWJRDTME-HDXUUTQWSA-N. The full InChI is InChI=1S/C24H47N/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(25(3)4)22-8-6-2/h11-12,14-15,24H,5-10,13,16-23H2,1-4H3/b12-11-,15-14-.
What are the key properties of (13Z,16Z)-N,N-dimethyldocosa-13,16-dien-5-amine?
(13Z,16Z)-N,N-dimethyldocosa-13,16-dien-5-amine has a molecular weight of 349.65 g/mol, XLogP of 7.92, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (13Z,16Z)-N,N-dimethyldocosa-13,16-dien-5-amine is sourced from PubChem (CID 56944146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).