2-ethyl-2-(ethylamino)but-3-yn-1-ol

C8H15NO — CID 55287441

IUPAC2-ethyl-2-(ethylamino)but-3-yn-1-ol
SMILESC#CC(CC)(CO)NCC
InChIInChI=1S/C8H15NO/c1-4-8(5-2,7-10)9-6-3/h1,9-10H,5-7H2,2-3H3
InChIKeyGNINDSBMQLFHJQ-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.37
Rot. Bonds4

About 2-ethyl-2-(ethylamino)but-3-yn-1-ol

2-ethyl-2-(ethylamino)but-3-yn-1-ol (PubChem CID 55287441) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)but-3-yn-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)but-3-yn-1-ol
PubChem CID55287441
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-ethyl-2-(ethylamino)but-3-yn-1-ol
SMILESC#CC(CC)(CO)NCC
InChIInChI=1S/C8H15NO/c1-4-8(5-2,7-10)9-6-3/h1,9-10H,5-7H2,2-3H3
InChIKeyGNINDSBMQLFHJQ-UHFFFAOYSA-N
XLogP0.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(ethylamino)-2-ethynylpropane-1,1,3-triol
CID 138632224
3-ethyl-N-(3-hydroxysulfanylpropyl)pent-1-yn-3-amine
CID 142978224
1-(3-ethylpent-1-yn-3-yl)-3-methylthiourea
CID 19711744
2-ethyl-2-(prop-2-ynylamino)butan-1-ol
CID 62517969
2-ethyl-2-[(2-methylbut-3-yn-2-ylamino)methyl]butan-1-ol
CID 81419462
2-methyl-2-[(2-methylbut-3-yn-2-ylamino)methyl]butan-1-ol
CID 81419461
2-(ethylamino)-3-methyl-2-propan-2-ylbutan-1-ol
CID 174847311
2-(ethylamino)-2-methylpropan-1-ol
CID 15105174
2-[[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263780
(2S)-2-[[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]amino]propanoic acid
CID 83194580
2,2-dimethyl-3-(2-methylbut-3-yn-2-ylamino)propan-1-ol
CID 81411464
2-methyl-2-(prop-2-ynylamino)propane-1,3-diol
CID 79810865

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)but-3-yn-1-ol?
The IUPAC name of 2-ethyl-2-(ethylamino)but-3-yn-1-ol (CID 55287441) is 2-ethyl-2-(ethylamino)but-3-yn-1-ol.
What is the SMILES notation for 2-ethyl-2-(ethylamino)but-3-yn-1-ol?
The canonical SMILES for 2-ethyl-2-(ethylamino)but-3-yn-1-ol is C#CC(CC)(CO)NCC.
What is the InChIKey of 2-ethyl-2-(ethylamino)but-3-yn-1-ol?
The InChIKey is GNINDSBMQLFHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-8(5-2,7-10)9-6-3/h1,9-10H,5-7H2,2-3H3.
What are the key properties of 2-ethyl-2-(ethylamino)but-3-yn-1-ol?
2-ethyl-2-(ethylamino)but-3-yn-1-ol has a molecular weight of 141.21 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 2-ethyl-2-(ethylamino)but-3-yn-1-ol is sourced from PubChem (CID 55287441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).