1-(butylamino)-1-ethoxyethanol

C8H19NO2 — CID 158145047

IUPAC1-(butylamino)-1-ethoxyethanol
SMILESCCCCNC(C)(O)OCC
InChIInChI=1S/C8H19NO2/c1-4-6-7-9-8(3,10)11-5-2/h9-10H,4-7H2,1-3H3
InChIKeyFUKLZBPIKFCYFU-UHFFFAOYSA-N
MW161.24 g/mol
LogP1.08
Rot. Bonds6

About 1-(butylamino)-1-ethoxyethanol

1-(butylamino)-1-ethoxyethanol (PubChem CID 158145047) has the molecular formula C8H19NO2 and a molecular weight of 161.24 g/mol. Its IUPAC name is 1-(butylamino)-1-ethoxyethanol.

Molecular Properties

Compound Name1-(butylamino)-1-ethoxyethanol
PubChem CID158145047
Molecular FormulaC8H19NO2
Molecular Weight161.24 g/mol
Exact Mass161.14
IUPAC Name1-(butylamino)-1-ethoxyethanol
SMILESCCCCNC(C)(O)OCC
InChIInChI=1S/C8H19NO2/c1-4-6-7-9-8(3,10)11-5-2/h9-10H,4-7H2,1-3H3
InChIKeyFUKLZBPIKFCYFU-UHFFFAOYSA-N
XLogP1.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 51.08
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

1,1-bis(octylamino)ethanol
CID 87347011
1-(dodecylamino)ethane-1,1-diol
CID 23198053
2-ethoxy-2-methylundecane
CID 150956805
1-(octylamino)ethane-1,1,2-triol
CID 87504785
2,3-dimethyl-3-(nonylamino)butan-2-ol
CID 106189952
2-ethoxytetradecan-2-ol
CID 154401470
N-(2-diethoxyphosphorylpropan-2-yl)butan-1-amine
CID 15266355
2,2-dibutylhexane-1,1,1-triol;1,1,1-triethoxyethane
CID 175727571
N-butyl-N'-tert-butylpropane-1,3-diamine
CID 60669474
2-(hexylamino)-2-methylbutan-1-ol
CID 64550569
N-butyl-N'-tert-butyloctane-1,8-diamine
CID 159630261
N-tert-butylnonadecan-1-amine
CID 87846739

Frequently Asked Questions

What is the IUPAC name of 1-(butylamino)-1-ethoxyethanol?
The IUPAC name of 1-(butylamino)-1-ethoxyethanol (CID 158145047) is 1-(butylamino)-1-ethoxyethanol.
What is the SMILES notation for 1-(butylamino)-1-ethoxyethanol?
The canonical SMILES for 1-(butylamino)-1-ethoxyethanol is CCCCNC(C)(O)OCC.
What is the InChIKey of 1-(butylamino)-1-ethoxyethanol?
The InChIKey is FUKLZBPIKFCYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-4-6-7-9-8(3,10)11-5-2/h9-10H,4-7H2,1-3H3.
What are the key properties of 1-(butylamino)-1-ethoxyethanol?
1-(butylamino)-1-ethoxyethanol has a molecular weight of 161.24 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylamino)-1-ethoxyethanol is sourced from PubChem (CID 158145047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).