2-[[(3-methoxycyclobutyl)amino]methyl]-2-methylbutan-1-ol

C11H23NO2 — CID 104871942

IUPAC2-[[(3-methoxycyclobutyl)amino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNC1CC(OC)C1
InChIInChI=1S/C11H23NO2/c1-4-11(2,8-13)7-12-9-5-10(6-9)14-3/h9-10,12-13H,4-8H2,1-3H3
InChIKeyXBLBGTMZWRIMOC-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.16
Rot. Bonds6

About 2-[[(3-methoxycyclobutyl)amino]methyl]-2-methylbutan-1-ol

2-[[(3-methoxycyclobutyl)amino]methyl]-2-methylbutan-1-ol (PubChem CID 104871942) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[[(3-methoxycyclobutyl)amino]methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[(3-methoxycyclobutyl)amino]methyl]-2-methylbutan-1-ol
PubChem CID104871942
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-[[(3-methoxycyclobutyl)amino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNC1CC(OC)C1
InChIInChI=1S/C11H23NO2/c1-4-11(2,8-13)7-12-9-5-10(6-9)14-3/h9-10,12-13H,4-8H2,1-3H3
InChIKeyXBLBGTMZWRIMOC-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylbutyl)-3-methoxycyclobutan-1-amine
CID 104588064
2-[(2-adamantylamino)methyl]-2-methylbutan-1-ol
CID 81413296
1-[(3-methoxycyclobutyl)amino]-2-phenylpropan-2-ol
CID 104589300
2-methyl-2-[[(1-methylpiperidin-3-yl)amino]methyl]butan-1-ol
CID 81418718
N-(3,3-dimethylbutyl)-3-methoxycyclobutan-1-amine
CID 104870848
4-[1-[(3-methoxycyclobutyl)amino]-2-methylpropan-2-yl]oxan-4-ol
CID 136548194
5-[(3-methoxycyclobutyl)amino]pentan-1-ol
CID 107316808
1-[(3-methoxycyclobutyl)amino]pentan-3-ol
CID 104871930
tert-butyl 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]pyrrolidine-1-carboxylate
CID 103828072
tert-butyl N-[4-[[2-(hydroxymethyl)-2-methylbutyl]amino]cyclohexyl]-N-methylcarbamate
CID 107255756
1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-ol
CID 65107402
(2R)-2-[(3-methoxycyclobutyl)amino]butan-1-ol
CID 104871999

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methoxycyclobutyl)amino]methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[[(3-methoxycyclobutyl)amino]methyl]-2-methylbutan-1-ol (CID 104871942) is 2-[[(3-methoxycyclobutyl)amino]methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[(3-methoxycyclobutyl)amino]methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[(3-methoxycyclobutyl)amino]methyl]-2-methylbutan-1-ol is CCC(C)(CO)CNC1CC(OC)C1.
What is the InChIKey of 2-[[(3-methoxycyclobutyl)amino]methyl]-2-methylbutan-1-ol?
The InChIKey is XBLBGTMZWRIMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-11(2,8-13)7-12-9-5-10(6-9)14-3/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of 2-[[(3-methoxycyclobutyl)amino]methyl]-2-methylbutan-1-ol?
2-[[(3-methoxycyclobutyl)amino]methyl]-2-methylbutan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methoxycyclobutyl)amino]methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 104871942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).