3-[cyclobutylmethyl(ethyl)amino]propane-1,2-diol

C10H21NO2 — CID 107400463

IUPAC3-[cyclobutylmethyl(ethyl)amino]propane-1,2-diol
SMILESCCN(CC(O)CO)CC1CCC1
InChIInChI=1S/C10H21NO2/c1-2-11(7-10(13)8-12)6-9-4-3-5-9/h9-10,12-13H,2-8H2,1H3
InChIKeyGPIIGSNBOZJMSV-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.46
Rot. Bonds6

About 3-[cyclobutylmethyl(ethyl)amino]propane-1,2-diol

3-[cyclobutylmethyl(ethyl)amino]propane-1,2-diol (PubChem CID 107400463) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-[cyclobutylmethyl(ethyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[cyclobutylmethyl(ethyl)amino]propane-1,2-diol
PubChem CID107400463
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-[cyclobutylmethyl(ethyl)amino]propane-1,2-diol
SMILESCCN(CC(O)CO)CC1CCC1
InChIInChI=1S/C10H21NO2/c1-2-11(7-10(13)8-12)6-9-4-3-5-9/h9-10,12-13H,2-8H2,1H3
InChIKeyGPIIGSNBOZJMSV-UHFFFAOYSA-N
XLogP0.46
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclobutylmethyl(ethyl)amino]propan-2-ol
CID 103714006
2-[cyclobutylmethyl(ethyl)amino]-1-cyclohexylethanol
CID 107400916
3-(diethylamino)propane-1,2-diol;hydrochloride
CID 174870807
3-[cyclohexylmethyl(methyl)amino]propane-1,2-diol
CID 82851087
1-[ethyl(piperidin-3-ylmethyl)amino]butan-2-ol
CID 106638403
3-[cyclobutylmethyl(ethyl)amino]propan-1-ol
CID 115666204
ethylcyclobutane;propane-1,2,3-triol
CID 23171105
3-[cyclobutylmethyl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 77067837
1-N-(cyclobutylmethyl)-1-N,2-N-diethylbutane-1,2-diamine
CID 107397983
[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclopentyl]methanol
CID 107401743
1-[ethyl(piperidin-4-ylmethyl)amino]-3-methoxypropan-2-ol
CID 79716413
2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpropane-1,3-diol
CID 107400471

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutylmethyl(ethyl)amino]propane-1,2-diol?
The IUPAC name of 3-[cyclobutylmethyl(ethyl)amino]propane-1,2-diol (CID 107400463) is 3-[cyclobutylmethyl(ethyl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[cyclobutylmethyl(ethyl)amino]propane-1,2-diol?
The canonical SMILES for 3-[cyclobutylmethyl(ethyl)amino]propane-1,2-diol is CCN(CC(O)CO)CC1CCC1.
What is the InChIKey of 3-[cyclobutylmethyl(ethyl)amino]propane-1,2-diol?
The InChIKey is GPIIGSNBOZJMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-11(7-10(13)8-12)6-9-4-3-5-9/h9-10,12-13H,2-8H2,1H3.
What are the key properties of 3-[cyclobutylmethyl(ethyl)amino]propane-1,2-diol?
3-[cyclobutylmethyl(ethyl)amino]propane-1,2-diol has a molecular weight of 187.28 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutylmethyl(ethyl)amino]propane-1,2-diol is sourced from PubChem (CID 107400463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).