18-methyl-N-(oxiran-2-ylmethyl)nonadec-9-en-1-amine

C23H45NO — CID 173359514

IUPAC18-methyl-N-(oxiran-2-ylmethyl)nonadec-9-en-1-amine
SMILESCC(C)CCCCCCCC=CCCCCCCCCNCC1CO1
InChIInChI=1S/C23H45NO/c1-22(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-24-20-23-21-25-23/h3-4,22-24H,5-21H2,1-2H3
InChIKeyHVCWVQOWMJEJPZ-UHFFFAOYSA-N
MW351.62 g/mol
LogP6.65
Rot. Bonds19

About 18-methyl-N-(oxiran-2-ylmethyl)nonadec-9-en-1-amine

18-methyl-N-(oxiran-2-ylmethyl)nonadec-9-en-1-amine (PubChem CID 173359514) has the molecular formula C23H45NO and a molecular weight of 351.62 g/mol. Its IUPAC name is 18-methyl-N-(oxiran-2-ylmethyl)nonadec-9-en-1-amine.

Molecular Properties

Compound Name18-methyl-N-(oxiran-2-ylmethyl)nonadec-9-en-1-amine
PubChem CID173359514
Molecular FormulaC23H45NO
Molecular Weight351.62 g/mol
Exact Mass351.35
IUPAC Name18-methyl-N-(oxiran-2-ylmethyl)nonadec-9-en-1-amine
SMILESCC(C)CCCCCCCC=CCCCCCCCCNCC1CO1
InChIInChI=1S/C23H45NO/c1-22(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-24-20-23-21-25-23/h3-4,22-24H,5-21H2,1-2H3
InChIKeyHVCWVQOWMJEJPZ-UHFFFAOYSA-N
XLogP6.65
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 18-methyl-N-(oxiran-2-ylmethyl)nonadec-9-en-1-amine?
The IUPAC name of 18-methyl-N-(oxiran-2-ylmethyl)nonadec-9-en-1-amine (CID 173359514) is 18-methyl-N-(oxiran-2-ylmethyl)nonadec-9-en-1-amine.
What is the SMILES notation for 18-methyl-N-(oxiran-2-ylmethyl)nonadec-9-en-1-amine?
The canonical SMILES for 18-methyl-N-(oxiran-2-ylmethyl)nonadec-9-en-1-amine is CC(C)CCCCCCCC=CCCCCCCCCNCC1CO1.
What is the InChIKey of 18-methyl-N-(oxiran-2-ylmethyl)nonadec-9-en-1-amine?
The InChIKey is HVCWVQOWMJEJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO/c1-22(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-24-20-23-21-25-23/h3-4,22-24H,5-21H2,1-2H3.
What are the key properties of 18-methyl-N-(oxiran-2-ylmethyl)nonadec-9-en-1-amine?
18-methyl-N-(oxiran-2-ylmethyl)nonadec-9-en-1-amine has a molecular weight of 351.62 g/mol, XLogP of 6.65, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-methyl-N-(oxiran-2-ylmethyl)nonadec-9-en-1-amine is sourced from PubChem (CID 173359514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).