[3-[[cyclobutylmethyl(ethyl)amino]methyl]oxolan-3-yl]methanol

C13H25NO2 — CID 107401725

IUPAC[3-[[cyclobutylmethyl(ethyl)amino]methyl]oxolan-3-yl]methanol
SMILESCCN(CC1CCC1)CC1(CO)CCOC1
InChIInChI=1S/C13H25NO2/c1-2-14(8-12-4-3-5-12)9-13(10-15)6-7-16-11-13/h12,15H,2-11H2,1H3
InChIKeyKWZMYXHIVNGZKD-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.51
Rot. Bonds6

About [3-[[cyclobutylmethyl(ethyl)amino]methyl]oxolan-3-yl]methanol

[3-[[cyclobutylmethyl(ethyl)amino]methyl]oxolan-3-yl]methanol (PubChem CID 107401725) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is [3-[[cyclobutylmethyl(ethyl)amino]methyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[cyclobutylmethyl(ethyl)amino]methyl]oxolan-3-yl]methanol
PubChem CID107401725
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name[3-[[cyclobutylmethyl(ethyl)amino]methyl]oxolan-3-yl]methanol
SMILESCCN(CC1CCC1)CC1(CO)CCOC1
InChIInChI=1S/C13H25NO2/c1-2-14(8-12-4-3-5-12)9-13(10-15)6-7-16-11-13/h12,15H,2-11H2,1H3
InChIKeyKWZMYXHIVNGZKD-UHFFFAOYSA-N
XLogP1.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclopentyl]methanol
CID 107401743
[3-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-3-yl]methanol
CID 62270932
N-(cyclopropylmethyl)-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
CID 63954673
[3-[[ethyl(2-methylpropyl)amino]methyl]oxolan-3-yl]methanol
CID 62270740
[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methanol
CID 62271115
[3-[[ethyl(propyl)amino]methyl]oxan-3-yl]methanol
CID 63747610
[3-(cyclobutylmethyl)oxolan-3-yl]methanol
CID 130135661
[3-[[cyclopropylmethyl(methyl)amino]methyl]oxan-3-yl]methanol
CID 63747612
N-(cyclopropylmethyl)-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]ethanamine
CID 63955479
[1-[[cyclobutylmethyl(ethyl)amino]methyl]cyclopropyl]methanethiol
CID 107402951
[3-[[butyl(ethyl)amino]methyl]oxan-3-yl]methanol
CID 63746410
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine
CID 62258482

Frequently Asked Questions

What is the IUPAC name of [3-[[cyclobutylmethyl(ethyl)amino]methyl]oxolan-3-yl]methanol?
The IUPAC name of [3-[[cyclobutylmethyl(ethyl)amino]methyl]oxolan-3-yl]methanol (CID 107401725) is [3-[[cyclobutylmethyl(ethyl)amino]methyl]oxolan-3-yl]methanol.
What is the SMILES notation for [3-[[cyclobutylmethyl(ethyl)amino]methyl]oxolan-3-yl]methanol?
The canonical SMILES for [3-[[cyclobutylmethyl(ethyl)amino]methyl]oxolan-3-yl]methanol is CCN(CC1CCC1)CC1(CO)CCOC1.
What is the InChIKey of [3-[[cyclobutylmethyl(ethyl)amino]methyl]oxolan-3-yl]methanol?
The InChIKey is KWZMYXHIVNGZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-14(8-12-4-3-5-12)9-13(10-15)6-7-16-11-13/h12,15H,2-11H2,1H3.
What are the key properties of [3-[[cyclobutylmethyl(ethyl)amino]methyl]oxolan-3-yl]methanol?
[3-[[cyclobutylmethyl(ethyl)amino]methyl]oxolan-3-yl]methanol has a molecular weight of 227.35 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[cyclobutylmethyl(ethyl)amino]methyl]oxolan-3-yl]methanol is sourced from PubChem (CID 107401725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).