1-amino-5-ethyl-1-octoxynonan-1-ol

C19H41NO2 — CID 154267310

IUPAC1-amino-5-ethyl-1-octoxynonan-1-ol
SMILESCCCCCCCCOC(N)(O)CCCC(CC)CCCC
InChIInChI=1S/C19H41NO2/c1-4-7-9-10-11-12-17-22-19(20,21)16-13-15-18(6-3)14-8-5-2/h18,21H,4-17,20H2,1-3H3
InChIKeyKBCHXAFHQXVAQL-UHFFFAOYSA-N
MW315.54 g/mol
LogP5.36
Rot. Bonds16

About 1-amino-5-ethyl-1-octoxynonan-1-ol

1-amino-5-ethyl-1-octoxynonan-1-ol (PubChem CID 154267310) has the molecular formula C19H41NO2 and a molecular weight of 315.54 g/mol. Its IUPAC name is 1-amino-5-ethyl-1-octoxynonan-1-ol.

Molecular Properties

Compound Name1-amino-5-ethyl-1-octoxynonan-1-ol
PubChem CID154267310
Molecular FormulaC19H41NO2
Molecular Weight315.54 g/mol
Exact Mass315.31
IUPAC Name1-amino-5-ethyl-1-octoxynonan-1-ol
SMILESCCCCCCCCOC(N)(O)CCCC(CC)CCCC
InChIInChI=1S/C19H41NO2/c1-4-7-9-10-11-12-17-22-19(20,21)16-13-15-18(6-3)14-8-5-2/h18,21H,4-17,20H2,1-3H3
InChIKeyKBCHXAFHQXVAQL-UHFFFAOYSA-N
XLogP5.36
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.54
LogP ≤ 55.36
H-Bond Donors ≤ 52
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

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CID 91805956
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CID 23358557
7-ethyltetracosane
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CID 529902
7-ethylhexadecyl hexanoate
CID 141147025
2-ethylhexyl pentadecyl carbonate
CID 91693131
7-ethyltridecane;methane
CID 158982306
1-decoxydecane-1,1-diamine
CID 87410137
1-O-(2-ethylhexyl) 3-O-hexadecyl 2,2-dimethylpropanedioate
CID 91714525
1-amino-2-ethyl-2-octadecoxyoctadecane-1,1-diol
CID 88619037
(3R)-3-ethyl-1-methoxynonane
CID 118890071
5-ethyl-2,2-dimethyltetradecane
CID 162426700

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-ethyl-1-octoxynonan-1-ol?
The IUPAC name of 1-amino-5-ethyl-1-octoxynonan-1-ol (CID 154267310) is 1-amino-5-ethyl-1-octoxynonan-1-ol.
What is the SMILES notation for 1-amino-5-ethyl-1-octoxynonan-1-ol?
The canonical SMILES for 1-amino-5-ethyl-1-octoxynonan-1-ol is CCCCCCCCOC(N)(O)CCCC(CC)CCCC.
What is the InChIKey of 1-amino-5-ethyl-1-octoxynonan-1-ol?
The InChIKey is KBCHXAFHQXVAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO2/c1-4-7-9-10-11-12-17-22-19(20,21)16-13-15-18(6-3)14-8-5-2/h18,21H,4-17,20H2,1-3H3.
What are the key properties of 1-amino-5-ethyl-1-octoxynonan-1-ol?
1-amino-5-ethyl-1-octoxynonan-1-ol has a molecular weight of 315.54 g/mol, XLogP of 5.36, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-ethyl-1-octoxynonan-1-ol is sourced from PubChem (CID 154267310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).