2-octadecoxyethanamine

C20H43NO — CID 18672810

IUPAC2-octadecoxyethanamine
SMILESCCCCCCCCCCCCCCCCCCOCCN
InChIInChI=1S/C20H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h2-21H2,1H3
InChIKeyXGKSCJRPYZHSLL-UHFFFAOYSA-N
MW313.57 g/mol
LogP6.22
Rot. Bonds19

About 2-octadecoxyethanamine

2-octadecoxyethanamine (PubChem CID 18672810) has the molecular formula C20H43NO and a molecular weight of 313.57 g/mol. Its IUPAC name is 2-octadecoxyethanamine.

Molecular Properties

Compound Name2-octadecoxyethanamine
PubChem CID18672810
Molecular FormulaC20H43NO
Molecular Weight313.57 g/mol
Exact Mass313.33
IUPAC Name2-octadecoxyethanamine
SMILESCCCCCCCCCCCCCCCCCCOCCN
InChIInChI=1S/C20H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h2-21H2,1H3
InChIKeyXGKSCJRPYZHSLL-UHFFFAOYSA-N
XLogP6.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.57
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Octyloxy)propanamine
CID 85192
Laurixamine
CID 65596
3-(Decyloxy)propan-1-amine
CID 82088
2,3-Didodecoxypropan-1-amine
CID 10180941
1-Propanamine, 3-(hexadecyloxy)-
CID 78406
1-Propanamine, 3-(tetradecyloxy)-
CID 82089
2-(2-(Dodecyloxy)-ethoxy)-ethylamine
CID 4425284
3-(Tridecyloxy)-1-propanamine
CID 84589
2-Tetradecoxypropane-1,3-diamine;dihydrochloride
CID 49796506
2-Hexadecoxyethanamine
CID 17914362
2-Tetradecoxyethanamine
CID 18672783
2-(Dodecyloxy)ethan-1-amine
CID 18672799

Frequently Asked Questions

What is the IUPAC name of 2-octadecoxyethanamine?
The IUPAC name of 2-octadecoxyethanamine (CID 18672810) is 2-octadecoxyethanamine.
What is the SMILES notation for 2-octadecoxyethanamine?
The canonical SMILES for 2-octadecoxyethanamine is CCCCCCCCCCCCCCCCCCOCCN.
What is the InChIKey of 2-octadecoxyethanamine?
The InChIKey is XGKSCJRPYZHSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h2-21H2,1H3.
What are the key properties of 2-octadecoxyethanamine?
2-octadecoxyethanamine has a molecular weight of 313.57 g/mol, XLogP of 6.22, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octadecoxyethanamine is sourced from PubChem (CID 18672810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).