1-(but-3-yn-2-ylamino)-3-(2-ethoxyethoxy)propan-2-ol

C11H21NO3 — CID 114416575

IUPAC1-(but-3-yn-2-ylamino)-3-(2-ethoxyethoxy)propan-2-ol
SMILESC#CC(C)NCC(O)COCCOCC
InChIInChI=1S/C11H21NO3/c1-4-10(3)12-8-11(13)9-15-7-6-14-5-2/h1,10-13H,5-9H2,2-3H3
InChIKeySNWISRCYHOPLFG-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.01
Rot. Bonds9

About 1-(but-3-yn-2-ylamino)-3-(2-ethoxyethoxy)propan-2-ol

1-(but-3-yn-2-ylamino)-3-(2-ethoxyethoxy)propan-2-ol (PubChem CID 114416575) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-(but-3-yn-2-ylamino)-3-(2-ethoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(but-3-yn-2-ylamino)-3-(2-ethoxyethoxy)propan-2-ol
PubChem CID114416575
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-(but-3-yn-2-ylamino)-3-(2-ethoxyethoxy)propan-2-ol
SMILESC#CC(C)NCC(O)COCCOCC
InChIInChI=1S/C11H21NO3/c1-4-10(3)12-8-11(13)9-15-7-6-14-5-2/h1,10-13H,5-9H2,2-3H3
InChIKeySNWISRCYHOPLFG-UHFFFAOYSA-N
XLogP0.01
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyethoxy)-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propan-2-ol
CID 114156052
1-(pent-1-yn-3-ylamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 114161170
1-(but-3-yn-2-ylamino)-3-(2-ethylhexoxy)propan-2-ol
CID 114416911
1-(2-ethoxyethoxy)-3-(hexan-2-ylamino)propan-2-ol
CID 62199472
1-(2-ethoxyethoxy)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 81348053
1-(2-ethoxyethoxy)-3-(hex-5-ynylamino)propan-2-ol
CID 106211324
1-[[(1S)-1-cycloheptylethyl]amino]-3-(2-ethoxyethoxy)propan-2-ol
CID 81393423
4-(2-ethoxyethoxy)-3-methylbut-1-yne
CID 140970677
1-(2-ethoxyethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 54940811
1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol
CID 54938711
1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 62141108
1-(2-ethoxyethoxy)-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63965158

Frequently Asked Questions

What is the IUPAC name of 1-(but-3-yn-2-ylamino)-3-(2-ethoxyethoxy)propan-2-ol?
The IUPAC name of 1-(but-3-yn-2-ylamino)-3-(2-ethoxyethoxy)propan-2-ol (CID 114416575) is 1-(but-3-yn-2-ylamino)-3-(2-ethoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-(but-3-yn-2-ylamino)-3-(2-ethoxyethoxy)propan-2-ol?
The canonical SMILES for 1-(but-3-yn-2-ylamino)-3-(2-ethoxyethoxy)propan-2-ol is C#CC(C)NCC(O)COCCOCC.
What is the InChIKey of 1-(but-3-yn-2-ylamino)-3-(2-ethoxyethoxy)propan-2-ol?
The InChIKey is SNWISRCYHOPLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-10(3)12-8-11(13)9-15-7-6-14-5-2/h1,10-13H,5-9H2,2-3H3.
What are the key properties of 1-(but-3-yn-2-ylamino)-3-(2-ethoxyethoxy)propan-2-ol?
1-(but-3-yn-2-ylamino)-3-(2-ethoxyethoxy)propan-2-ol has a molecular weight of 215.29 g/mol, XLogP of 0.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(but-3-yn-2-ylamino)-3-(2-ethoxyethoxy)propan-2-ol is sourced from PubChem (CID 114416575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).