1-[1-(oxolan-2-yl)ethylamino]hex-5-yn-2-ol

C12H21NO2 — CID 167757207

IUPAC1-[1-(oxolan-2-yl)ethylamino]hex-5-yn-2-ol
SMILESC#CCCC(O)CNC(C)C1CCCO1
InChIInChI=1S/C12H21NO2/c1-3-4-6-11(14)9-13-10(2)12-7-5-8-15-12/h1,10-14H,4-9H2,2H3
InChIKeyTWWZZQBIEDHVBH-UHFFFAOYSA-N
MW211.30 g/mol
LogP0.92
Rot. Bonds6

About 1-[1-(oxolan-2-yl)ethylamino]hex-5-yn-2-ol

1-[1-(oxolan-2-yl)ethylamino]hex-5-yn-2-ol (PubChem CID 167757207) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-[1-(oxolan-2-yl)ethylamino]hex-5-yn-2-ol.

Molecular Properties

Compound Name1-[1-(oxolan-2-yl)ethylamino]hex-5-yn-2-ol
PubChem CID167757207
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-[1-(oxolan-2-yl)ethylamino]hex-5-yn-2-ol
SMILESC#CCCC(O)CNC(C)C1CCCO1
InChIInChI=1S/C12H21NO2/c1-3-4-6-11(14)9-13-10(2)12-7-5-8-15-12/h1,10-14H,4-9H2,2H3
InChIKeyTWWZZQBIEDHVBH-UHFFFAOYSA-N
XLogP0.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylpropoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol
CID 54938470
1-[(2-methylpropan-2-yl)oxy]-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol
CID 54938374
1-(cyclopropylmethoxy)-3-[1-(oxolan-2-yl)ethylamino]propan-2-ol
CID 54938520
2,2-dimethoxy-N-[1-(oxolan-2-yl)ethyl]ethanamine
CID 63686991
1-[[1-(oxolan-2-yl)ethylamino]methyl]cycloheptan-1-ol
CID 54938612
1-[1-(oxolan-2-yl)ethylamino]-3-phenoxypropan-2-ol
CID 54938328
N'-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441277
N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]-1-(oxolan-2-yl)ethanamine
CID 79183686
1-(3,4-difluorophenyl)-2-[1-(oxolan-2-yl)ethylamino]ethanol
CID 54938804
N-ethyl-1-(oxolan-2-yl)but-3-yn-1-amine
CID 65328587
(1S)-1-(oxolan-2-yl)prop-2-yn-1-ol
CID 130563392
5-[1-(oxolan-2-yl)ethylamino]pentanoic acid
CID 103238581

Frequently Asked Questions

What is the IUPAC name of 1-[1-(oxolan-2-yl)ethylamino]hex-5-yn-2-ol?
The IUPAC name of 1-[1-(oxolan-2-yl)ethylamino]hex-5-yn-2-ol (CID 167757207) is 1-[1-(oxolan-2-yl)ethylamino]hex-5-yn-2-ol.
What is the SMILES notation for 1-[1-(oxolan-2-yl)ethylamino]hex-5-yn-2-ol?
The canonical SMILES for 1-[1-(oxolan-2-yl)ethylamino]hex-5-yn-2-ol is C#CCCC(O)CNC(C)C1CCCO1.
What is the InChIKey of 1-[1-(oxolan-2-yl)ethylamino]hex-5-yn-2-ol?
The InChIKey is TWWZZQBIEDHVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-4-6-11(14)9-13-10(2)12-7-5-8-15-12/h1,10-14H,4-9H2,2H3.
What are the key properties of 1-[1-(oxolan-2-yl)ethylamino]hex-5-yn-2-ol?
1-[1-(oxolan-2-yl)ethylamino]hex-5-yn-2-ol has a molecular weight of 211.30 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(oxolan-2-yl)ethylamino]hex-5-yn-2-ol is sourced from PubChem (CID 167757207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).