18,18-dimethyl-N-octadecylnonadecan-1-amine

C39H81N — CID 154404952

IUPAC18,18-dimethyl-N-octadecylnonadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC(C)(C)C
InChIInChI=1S/C39H81N/c1-5-6-7-8-9-10-11-12-13-16-19-22-25-28-31-34-37-40-38-35-32-29-26-23-20-17-14-15-18-21-24-27-30-33-36-39(2,3)4/h40H,5-38H2,1-4H3
InChIKeyPCCLIRVXMSRQMF-UHFFFAOYSA-N
MW564.08 g/mol
LogP14.13
Rot. Bonds34

About 18,18-dimethyl-N-octadecylnonadecan-1-amine

18,18-dimethyl-N-octadecylnonadecan-1-amine (PubChem CID 154404952) has the molecular formula C39H81N and a molecular weight of 564.08 g/mol. Its IUPAC name is 18,18-dimethyl-N-octadecylnonadecan-1-amine.

Molecular Properties

Compound Name18,18-dimethyl-N-octadecylnonadecan-1-amine
PubChem CID154404952
Molecular FormulaC39H81N
Molecular Weight564.08 g/mol
Exact Mass563.64
IUPAC Name18,18-dimethyl-N-octadecylnonadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC(C)(C)C
InChIInChI=1S/C39H81N/c1-5-6-7-8-9-10-11-12-13-16-19-22-25-28-31-34-37-40-38-35-32-29-26-23-20-17-14-15-18-21-24-27-30-33-36-39(2,3)4/h40H,5-38H2,1-4H3
InChIKeyPCCLIRVXMSRQMF-UHFFFAOYSA-N
XLogP14.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds34
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.08
LogP ≤ 514.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-hexadecyl-18,18-dimethylnonadecan-1-amine;hydrochloride
CID 173196630
N-(12,12-dimethyltridecyl)hexadecan-1-amine;hydrobromide
CID 174728206
azane;2,2-dimethylundecane
CID 172735807
2,2-dimethylundecane;hydrobromide
CID 172814192
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
2,2-dimethylnonane;fluoromethane
CID 158057771
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
methane;N-octyloctan-1-amine
CID 87294693

Frequently Asked Questions

What is the IUPAC name of 18,18-dimethyl-N-octadecylnonadecan-1-amine?
The IUPAC name of 18,18-dimethyl-N-octadecylnonadecan-1-amine (CID 154404952) is 18,18-dimethyl-N-octadecylnonadecan-1-amine.
What is the SMILES notation for 18,18-dimethyl-N-octadecylnonadecan-1-amine?
The canonical SMILES for 18,18-dimethyl-N-octadecylnonadecan-1-amine is CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC(C)(C)C.
What is the InChIKey of 18,18-dimethyl-N-octadecylnonadecan-1-amine?
The InChIKey is PCCLIRVXMSRQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H81N/c1-5-6-7-8-9-10-11-12-13-16-19-22-25-28-31-34-37-40-38-35-32-29-26-23-20-17-14-15-18-21-24-27-30-33-36-39(2,3)4/h40H,5-38H2,1-4H3.
What are the key properties of 18,18-dimethyl-N-octadecylnonadecan-1-amine?
18,18-dimethyl-N-octadecylnonadecan-1-amine has a molecular weight of 564.08 g/mol, XLogP of 14.13, 34 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 18,18-dimethyl-N-octadecylnonadecan-1-amine is sourced from PubChem (CID 154404952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).