1-[2-(2-hydroxyethoxy)ethylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol

C14H29NO4 — CID 60632962

IUPAC1-[2-(2-hydroxyethoxy)ethylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCCCC1OCC(O)CNCCOCCO
InChIInChI=1S/C14H29NO4/c1-12-4-2-3-5-14(12)19-11-13(17)10-15-6-8-18-9-7-16/h12-17H,2-11H2,1H3
InChIKeyBAATZBHEUXUIMH-UHFFFAOYSA-N
MW275.39 g/mol
LogP0.54
Rot. Bonds10

About 1-[2-(2-hydroxyethoxy)ethylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol

1-[2-(2-hydroxyethoxy)ethylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol (PubChem CID 60632962) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol
PubChem CID60632962
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Name1-[2-(2-hydroxyethoxy)ethylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCCCC1OCC(O)CNCCOCCO
InChIInChI=1S/C14H29NO4/c1-12-4-2-3-5-14(12)19-11-13(17)10-15-6-8-18-9-7-16/h12-17H,2-11H2,1H3
InChIKeyBAATZBHEUXUIMH-UHFFFAOYSA-N
XLogP0.54
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]butan-2-ol
CID 64910999
1-(2-methylcyclohexyl)oxy-3-(2-methylpropylamino)propan-2-ol
CID 60635615
1-(2-hydroxypropylamino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60634518
1-[2-[ethyl(methyl)amino]ethylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 62636800
3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropan-1-ol
CID 115359847
1-(2-methylcyclohexyl)oxy-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol
CID 106325720
3-[2-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]ethyl]-1,1-dimethylurea
CID 83113488
3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropanamide
CID 106275908
1-(2,2-dimethylhydrazinyl)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 83013847
1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol
CID 60909932
1-(2-ethylcyclohexyl)oxy-3-(2-methoxyethylamino)propan-2-ol
CID 60632867
1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrrolidin-2-yl)methylamino]propan-2-ol
CID 106025685

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol (CID 60632962) is 1-[2-(2-hydroxyethoxy)ethylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol is CC1CCCCC1OCC(O)CNCCOCCO.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol?
The InChIKey is BAATZBHEUXUIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-12-4-2-3-5-14(12)19-11-13(17)10-15-6-8-18-9-7-16/h12-17H,2-11H2,1H3.
What are the key properties of 1-[2-(2-hydroxyethoxy)ethylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol?
1-[2-(2-hydroxyethoxy)ethylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol has a molecular weight of 275.39 g/mol, XLogP of 0.54, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 60632962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).