3-methyl-N,N-dioctyloctan-1-amine

C25H53N — CID 18801183

IUPAC3-methyl-N,N-dioctyloctan-1-amine
SMILESCCCCCCCCN(CCCCCCCC)CCC(C)CCCCC
InChIInChI=1S/C25H53N/c1-5-8-11-13-15-18-22-26(23-19-16-14-12-9-6-2)24-21-25(4)20-17-10-7-3/h25H,5-24H2,1-4H3
InChIKeyQBDFGGZVMMIPAB-UHFFFAOYSA-N
MW367.71 g/mol
LogP8.62
Rot. Bonds21

About 3-methyl-N,N-dioctyloctan-1-amine

3-methyl-N,N-dioctyloctan-1-amine (PubChem CID 18801183) has the molecular formula C25H53N and a molecular weight of 367.71 g/mol. Its IUPAC name is 3-methyl-N,N-dioctyloctan-1-amine.

Molecular Properties

Compound Name3-methyl-N,N-dioctyloctan-1-amine
PubChem CID18801183
Molecular FormulaC25H53N
Molecular Weight367.71 g/mol
Exact Mass367.42
IUPAC Name3-methyl-N,N-dioctyloctan-1-amine
SMILESCCCCCCCCN(CCCCCCCC)CCC(C)CCCCC
InChIInChI=1S/C25H53N/c1-5-8-11-13-15-18-22-26(23-19-16-14-12-9-6-2)24-21-25(4)20-17-10-7-3/h25H,5-24H2,1-4H3
InChIKeyQBDFGGZVMMIPAB-UHFFFAOYSA-N
XLogP8.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.71
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N,N-dioctyloctan-1-amine?
The IUPAC name of 3-methyl-N,N-dioctyloctan-1-amine (CID 18801183) is 3-methyl-N,N-dioctyloctan-1-amine.
What is the SMILES notation for 3-methyl-N,N-dioctyloctan-1-amine?
The canonical SMILES for 3-methyl-N,N-dioctyloctan-1-amine is CCCCCCCCN(CCCCCCCC)CCC(C)CCCCC.
What is the InChIKey of 3-methyl-N,N-dioctyloctan-1-amine?
The InChIKey is QBDFGGZVMMIPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53N/c1-5-8-11-13-15-18-22-26(23-19-16-14-12-9-6-2)24-21-25(4)20-17-10-7-3/h25H,5-24H2,1-4H3.
What are the key properties of 3-methyl-N,N-dioctyloctan-1-amine?
3-methyl-N,N-dioctyloctan-1-amine has a molecular weight of 367.71 g/mol, XLogP of 8.62, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N,N-dioctyloctan-1-amine is sourced from PubChem (CID 18801183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).