1-(2-methoxyethylamino)hept-5-yn-2-ol

C10H19NO2 — CID 104813071

IUPAC1-(2-methoxyethylamino)hept-5-yn-2-ol
SMILESCC#CCCC(O)CNCCOC
InChIInChI=1S/C10H19NO2/c1-3-4-5-6-10(12)9-11-7-8-13-2/h10-12H,5-9H2,1-2H3
InChIKeyJGNXCQBSLJEAAV-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.39
Rot. Bonds7

About 1-(2-methoxyethylamino)hept-5-yn-2-ol

1-(2-methoxyethylamino)hept-5-yn-2-ol (PubChem CID 104813071) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(2-methoxyethylamino)hept-5-yn-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethylamino)hept-5-yn-2-ol
PubChem CID104813071
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(2-methoxyethylamino)hept-5-yn-2-ol
SMILESCC#CCCC(O)CNCCOC
InChIInChI=1S/C10H19NO2/c1-3-4-5-6-10(12)9-11-7-8-13-2/h10-12H,5-9H2,1-2H3
InChIKeyJGNXCQBSLJEAAV-UHFFFAOYSA-N
XLogP0.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(ethylamino)hept-5-yn-2-ol
CID 104813053
1-fluoro-3-(2-methoxyethylamino)propan-2-ol
CID 131182194
1-(2-methoxyethylamino)butan-2-ol
CID 60885611
1-(propan-2-ylamino)hept-5-yn-2-ol
CID 104813059
1-(tert-butylamino)hept-5-yn-2-ol
CID 104813065
1-(dimethylamino)-3-(pent-3-ynylamino)propan-2-ol
CID 116643835
1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 115475430
2-methoxynon-7-yn-4-ol
CID 104804259
1-(2-methoxyethylamino)-3-[methyl(propyl)amino]propan-2-ol
CID 115474889
1-(3,5-dimethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633357
3-[[2-hydroxy-3-(2-methoxyethylamino)propyl]-(2-methylpropyl)amino]propanenitrile
CID 113317541
1-(2,6-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 78971493

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylamino)hept-5-yn-2-ol?
The IUPAC name of 1-(2-methoxyethylamino)hept-5-yn-2-ol (CID 104813071) is 1-(2-methoxyethylamino)hept-5-yn-2-ol.
What is the SMILES notation for 1-(2-methoxyethylamino)hept-5-yn-2-ol?
The canonical SMILES for 1-(2-methoxyethylamino)hept-5-yn-2-ol is CC#CCCC(O)CNCCOC.
What is the InChIKey of 1-(2-methoxyethylamino)hept-5-yn-2-ol?
The InChIKey is JGNXCQBSLJEAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-4-5-6-10(12)9-11-7-8-13-2/h10-12H,5-9H2,1-2H3.
What are the key properties of 1-(2-methoxyethylamino)hept-5-yn-2-ol?
1-(2-methoxyethylamino)hept-5-yn-2-ol has a molecular weight of 185.27 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylamino)hept-5-yn-2-ol is sourced from PubChem (CID 104813071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).