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

C12H25NO2 — CID 107400471

IUPAC2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpropane-1,3-diol
SMILESCCN(CC1CCC1)CC(C)(CO)CO
InChIInChI=1S/C12H25NO2/c1-3-13(7-11-5-4-6-11)8-12(2,9-14)10-15/h11,14-15H,3-10H2,1-2H3
InChIKeyYXSHFVIWENVXJH-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.10
Rot. Bonds7

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

2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpropane-1,3-diol (PubChem CID 107400471) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpropane-1,3-diol
PubChem CID107400471
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpropane-1,3-diol
SMILESCCN(CC1CCC1)CC(C)(CO)CO
InChIInChI=1S/C12H25NO2/c1-3-13(7-11-5-4-6-11)8-12(2,9-14)10-15/h11,14-15H,3-10H2,1-2H3
InChIKeyYXSHFVIWENVXJH-UHFFFAOYSA-N
XLogP1.10
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclobutylmethyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol
CID 107402544
2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpentanoic acid
CID 107401707
2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64791229
3-[cyclobutylmethyl(ethyl)amino]propan-1-ol
CID 115666204
4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 107402539
2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-ethylbutanal
CID 107401503
3-[cyclobutylmethyl(ethyl)amino]propane-1,2-diol
CID 107400463
3-[cyclobutylmethyl(ethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one
CID 107401488
2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propylamino)propan-1-ol
CID 64790825
1-[cyclobutylmethyl(ethyl)amino]propan-2-ol
CID 103714006
2-(bromomethyl)-N-(cyclopropylmethyl)-N,2-diethylbutan-1-amine
CID 65004000
N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethylethane-1,2-diamine
CID 107398077

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpropane-1,3-diol (CID 107400471) is 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpropane-1,3-diol is CCN(CC1CCC1)CC(C)(CO)CO.
What is the InChIKey of 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpropane-1,3-diol?
The InChIKey is YXSHFVIWENVXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-13(7-11-5-4-6-11)8-12(2,9-14)10-15/h11,14-15H,3-10H2,1-2H3.
What are the key properties of 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpropane-1,3-diol?
2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpropane-1,3-diol has a molecular weight of 215.34 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpropane-1,3-diol is sourced from PubChem (CID 107400471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).