(16Z,19Z)-N,N-dimethylpentacosa-16,19-dien-8-amine

C27H53N — CID 56944145

IUPAC(16Z,19Z)-N,N-dimethylpentacosa-16,19-dien-8-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(CCCCCCC)N(C)C
InChIInChI=1S/C27H53N/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-27(28(3)4)25-23-21-10-8-6-2/h12-13,15-16,27H,5-11,14,17-26H2,1-4H3/b13-12-,16-15-
InChIKeyITVJOYPVZICKMZ-QGLGPCELSA-N
MW391.73 g/mol
LogP9.09
Rot. Bonds21

About (16Z,19Z)-N,N-dimethylpentacosa-16,19-dien-8-amine

(16Z,19Z)-N,N-dimethylpentacosa-16,19-dien-8-amine (PubChem CID 56944145) has the molecular formula C27H53N and a molecular weight of 391.73 g/mol. Its IUPAC name is (16Z,19Z)-N,N-dimethylpentacosa-16,19-dien-8-amine.

Molecular Properties

Compound Name(16Z,19Z)-N,N-dimethylpentacosa-16,19-dien-8-amine
PubChem CID56944145
Molecular FormulaC27H53N
Molecular Weight391.73 g/mol
Exact Mass391.42
IUPAC Name(16Z,19Z)-N,N-dimethylpentacosa-16,19-dien-8-amine
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(CCCCCCC)N(C)C
InChIInChI=1S/C27H53N/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-27(28(3)4)25-23-21-10-8-6-2/h12-13,15-16,27H,5-11,14,17-26H2,1-4H3/b13-12-,16-15-
InChIKeyITVJOYPVZICKMZ-QGLGPCELSA-N
XLogP9.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.73
LogP ≤ 59.09
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 (16Z,19Z)-N,N-dimethylpentacosa-16,19-dien-8-amine?
The IUPAC name of (16Z,19Z)-N,N-dimethylpentacosa-16,19-dien-8-amine (CID 56944145) is (16Z,19Z)-N,N-dimethylpentacosa-16,19-dien-8-amine.
What is the SMILES notation for (16Z,19Z)-N,N-dimethylpentacosa-16,19-dien-8-amine?
The canonical SMILES for (16Z,19Z)-N,N-dimethylpentacosa-16,19-dien-8-amine is CCCCC/C=C\C/C=C\CCCCCCCC(CCCCCCC)N(C)C.
What is the InChIKey of (16Z,19Z)-N,N-dimethylpentacosa-16,19-dien-8-amine?
The InChIKey is ITVJOYPVZICKMZ-QGLGPCELSA-N. The full InChI is InChI=1S/C27H53N/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-27(28(3)4)25-23-21-10-8-6-2/h12-13,15-16,27H,5-11,14,17-26H2,1-4H3/b13-12-,16-15-.
What are the key properties of (16Z,19Z)-N,N-dimethylpentacosa-16,19-dien-8-amine?
(16Z,19Z)-N,N-dimethylpentacosa-16,19-dien-8-amine has a molecular weight of 391.73 g/mol, XLogP of 9.09, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (16Z,19Z)-N,N-dimethylpentacosa-16,19-dien-8-amine is sourced from PubChem (CID 56944145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).