(Z)-N,N-dimethyldocos-13-en-1-amine

C24H49N — CID 87068691

IUPAC(Z)-N,N-dimethyldocos-13-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCN(C)C
InChIInChI=1S/C24H49N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2)3/h11-12H,4-10,13-24H2,1-3H3/b12-11-
InChIKeyJGFNOWXEZNEPMS-QXMHVHEDSA-N
MW351.66 g/mol
LogP8.15
Rot. Bonds20

About (Z)-N,N-dimethyldocos-13-en-1-amine

(Z)-N,N-dimethyldocos-13-en-1-amine (PubChem CID 87068691) has the molecular formula C24H49N and a molecular weight of 351.66 g/mol. Its IUPAC name is (Z)-N,N-dimethyldocos-13-en-1-amine.

Molecular Properties

Compound Name(Z)-N,N-dimethyldocos-13-en-1-amine
PubChem CID87068691
Molecular FormulaC24H49N
Molecular Weight351.66 g/mol
Exact Mass351.39
IUPAC Name(Z)-N,N-dimethyldocos-13-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCN(C)C
InChIInChI=1S/C24H49N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2)3/h11-12H,4-10,13-24H2,1-3H3/b12-11-
InChIKeyJGFNOWXEZNEPMS-QXMHVHEDSA-N
XLogP8.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.66
LogP ≤ 58.15
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 (Z)-N,N-dimethyldocos-13-en-1-amine?
The IUPAC name of (Z)-N,N-dimethyldocos-13-en-1-amine (CID 87068691) is (Z)-N,N-dimethyldocos-13-en-1-amine.
What is the SMILES notation for (Z)-N,N-dimethyldocos-13-en-1-amine?
The canonical SMILES for (Z)-N,N-dimethyldocos-13-en-1-amine is CCCCCCCC/C=C\CCCCCCCCCCCCN(C)C.
What is the InChIKey of (Z)-N,N-dimethyldocos-13-en-1-amine?
The InChIKey is JGFNOWXEZNEPMS-QXMHVHEDSA-N. The full InChI is InChI=1S/C24H49N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2)3/h11-12H,4-10,13-24H2,1-3H3/b12-11-.
What are the key properties of (Z)-N,N-dimethyldocos-13-en-1-amine?
(Z)-N,N-dimethyldocos-13-en-1-amine has a molecular weight of 351.66 g/mol, XLogP of 8.15, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dimethyldocos-13-en-1-amine is sourced from PubChem (CID 87068691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).