1-(ethylamino)butan-2-ol

C6H15NO — CID 19804546

IUPAC1-(ethylamino)butan-2-ol
SMILESCCNCC(O)CC
InChIInChI=1S/C6H15NO/c1-3-6(8)5-7-4-2/h6-8H,3-5H2,1-2H3
InChIKeyJRLAKNMVEGRRGK-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.37
Rot. Bonds4

About 1-(ethylamino)butan-2-ol

1-(ethylamino)butan-2-ol (PubChem CID 19804546) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 1-(ethylamino)butan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)butan-2-ol
PubChem CID19804546
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name1-(ethylamino)butan-2-ol
SMILESCCNCC(O)CC
InChIInChI=1S/C6H15NO/c1-3-6(8)5-7-4-2/h6-8H,3-5H2,1-2H3
InChIKeyJRLAKNMVEGRRGK-UHFFFAOYSA-N
XLogP0.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 8086
Butylethanolamine
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N-(2-Hydroxypropyl)-1,2-ethanediamine
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4-Hydroxypyrrolidine
CID 98210
2-(Pentylamino)ethanol
CID 97502
1-((2-Hydroxyethyl)amino)propan-2-ol
CID 98177
(3S)-pyrrolidin-3-ol
CID 2733874
1-(Methylamino)propan-2-ol
CID 86049
1-[(Propan-2-yl)amino]propan-2-ol
CID 276926
(3R)-pyrrolidin-3-ol hydrochloride
CID 2759336

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)butan-2-ol?
The IUPAC name of 1-(ethylamino)butan-2-ol (CID 19804546) is 1-(ethylamino)butan-2-ol.
What is the SMILES notation for 1-(ethylamino)butan-2-ol?
The canonical SMILES for 1-(ethylamino)butan-2-ol is CCNCC(O)CC.
What is the InChIKey of 1-(ethylamino)butan-2-ol?
The InChIKey is JRLAKNMVEGRRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c1-3-6(8)5-7-4-2/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-(ethylamino)butan-2-ol?
1-(ethylamino)butan-2-ol has a molecular weight of 117.19 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)butan-2-ol is sourced from PubChem (CID 19804546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).