3-[cyclobutyl(2-hydroxyethyl)amino]propane-1,2-diol

C9H19NO3 — CID 102867765

IUPAC3-[cyclobutyl(2-hydroxyethyl)amino]propane-1,2-diol
SMILESOCCN(CC(O)CO)C1CCC1
InChIInChI=1S/C9H19NO3/c11-5-4-10(6-9(13)7-12)8-2-1-3-8/h8-9,11-13H,1-7H2
InChIKeySHTLWVSBLMBVMJ-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.81
Rot. Bonds6

About 3-[cyclobutyl(2-hydroxyethyl)amino]propane-1,2-diol

3-[cyclobutyl(2-hydroxyethyl)amino]propane-1,2-diol (PubChem CID 102867765) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-[cyclobutyl(2-hydroxyethyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[cyclobutyl(2-hydroxyethyl)amino]propane-1,2-diol
PubChem CID102867765
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name3-[cyclobutyl(2-hydroxyethyl)amino]propane-1,2-diol
SMILESOCCN(CC(O)CO)C1CCC1
InChIInChI=1S/C9H19NO3/c11-5-4-10(6-9(13)7-12)8-2-1-3-8/h8-9,11-13H,1-7H2
InChIKeySHTLWVSBLMBVMJ-UHFFFAOYSA-N
XLogP-0.81
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopentyl(3-methylbutyl)amino]propane-1,2-diol
CID 82850075
3-[3-aminopropyl(cycloheptyl)amino]propane-1,2-diol
CID 82850125
4-[cyclohexyl(2-hydroxyethyl)amino]-3-hydroxybutanoic acid
CID 82770886
2-[cyclohexyl(2,2-difluoroethyl)amino]ethanol
CID 62016408
2-[cyclopentyl(2,3-dihydroxypropyl)amino]ethanethioamide
CID 82851165
2-[cyclohexyl(2-ethylbutyl)amino]ethanol
CID 82930046
2-[cyclohexyl(2-hydroxyethyl)amino]ethanol;nickel
CID 88833532
2-[cyclopentyl(2-methylpentyl)amino]ethanol
CID 62266267
2-chloro-3-[cyclobutyl(2-hydroxyethyl)amino]propanenitrile
CID 102862459
2-[(2-bromo-3,3,3-trifluoropropyl)-cyclopentylamino]ethanol
CID 64758568
3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82329620
3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]propane-1,2-diol
CID 106599810

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl(2-hydroxyethyl)amino]propane-1,2-diol?
The IUPAC name of 3-[cyclobutyl(2-hydroxyethyl)amino]propane-1,2-diol (CID 102867765) is 3-[cyclobutyl(2-hydroxyethyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[cyclobutyl(2-hydroxyethyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[cyclobutyl(2-hydroxyethyl)amino]propane-1,2-diol is OCCN(CC(O)CO)C1CCC1.
What is the InChIKey of 3-[cyclobutyl(2-hydroxyethyl)amino]propane-1,2-diol?
The InChIKey is SHTLWVSBLMBVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c11-5-4-10(6-9(13)7-12)8-2-1-3-8/h8-9,11-13H,1-7H2.
What are the key properties of 3-[cyclobutyl(2-hydroxyethyl)amino]propane-1,2-diol?
3-[cyclobutyl(2-hydroxyethyl)amino]propane-1,2-diol has a molecular weight of 189.25 g/mol, XLogP of -0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl(2-hydroxyethyl)amino]propane-1,2-diol is sourced from PubChem (CID 102867765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).