1-(ethylamino)propan-1-ol;octadecanoic acid

C23H49NO3 — CID 175333337

IUPAC1-(ethylamino)propan-1-ol;octadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O.CCNC(O)CC
InChIInChI=1S/C18H36O2.C5H13NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-5(7)6-4-2/h2-17H2,1H3,(H,19,20);5-7H,3-4H2,1-2H3
InChIKeyALCXVJZZXMSIHI-UHFFFAOYSA-N
MW387.65 g/mol
LogP6.66
Rot. Bonds19

About 1-(ethylamino)propan-1-ol;octadecanoic acid

1-(ethylamino)propan-1-ol;octadecanoic acid (PubChem CID 175333337) has the molecular formula C23H49NO3 and a molecular weight of 387.65 g/mol. Its IUPAC name is 1-(ethylamino)propan-1-ol;octadecanoic acid.

Molecular Properties

Compound Name1-(ethylamino)propan-1-ol;octadecanoic acid
PubChem CID175333337
Molecular FormulaC23H49NO3
Molecular Weight387.65 g/mol
Exact Mass387.37
IUPAC Name1-(ethylamino)propan-1-ol;octadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O.CCNC(O)CC
InChIInChI=1S/C18H36O2.C5H13NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-5(7)6-4-2/h2-17H2,1H3,(H,19,20);5-7H,3-4H2,1-2H3
InChIKeyALCXVJZZXMSIHI-UHFFFAOYSA-N
XLogP6.66
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.65
LogP ≤ 56.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

octadecanoic acid;propane-1,1-diol
CID 87098622
CID 57488644
CID 57488644
(1,3,5,7,9-13C5)hexadecanoic acid
CID 71309479
docosanoic acid;bis(tetracosanoic acid)
CID 161141504
hexatriacontanoic acid
CID 87094359
tetradecanoic acid
CID 88995416
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)propan-1-ol;octadecanoic acid?
The IUPAC name of 1-(ethylamino)propan-1-ol;octadecanoic acid (CID 175333337) is 1-(ethylamino)propan-1-ol;octadecanoic acid.
What is the SMILES notation for 1-(ethylamino)propan-1-ol;octadecanoic acid?
The canonical SMILES for 1-(ethylamino)propan-1-ol;octadecanoic acid is CCCCCCCCCCCCCCCCCC(=O)O.CCNC(O)CC.
What is the InChIKey of 1-(ethylamino)propan-1-ol;octadecanoic acid?
The InChIKey is ALCXVJZZXMSIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.C5H13NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-5(7)6-4-2/h2-17H2,1H3,(H,19,20);5-7H,3-4H2,1-2H3.
What are the key properties of 1-(ethylamino)propan-1-ol;octadecanoic acid?
1-(ethylamino)propan-1-ol;octadecanoic acid has a molecular weight of 387.65 g/mol, XLogP of 6.66, 19 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)propan-1-ol;octadecanoic acid is sourced from PubChem (CID 175333337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).