[4-(cyclobutylmethylamino)oxan-4-yl]methanol

C11H21NO2 — CID 103713933

IUPAC[4-(cyclobutylmethylamino)oxan-4-yl]methanol
SMILESOCC1(NCC2CCC2)CCOCC1
InChIInChI=1S/C11H21NO2/c13-9-11(4-6-14-7-5-11)12-8-10-2-1-3-10/h10,12-13H,1-9H2
InChIKeyJLEXYQCGTHMMCR-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.92
Rot. Bonds4

About [4-(cyclobutylmethylamino)oxan-4-yl]methanol

[4-(cyclobutylmethylamino)oxan-4-yl]methanol (PubChem CID 103713933) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is [4-(cyclobutylmethylamino)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(cyclobutylmethylamino)oxan-4-yl]methanol
PubChem CID103713933
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name[4-(cyclobutylmethylamino)oxan-4-yl]methanol
SMILESOCC1(NCC2CCC2)CCOCC1
InChIInChI=1S/C11H21NO2/c13-9-11(4-6-14-7-5-11)12-8-10-2-1-3-10/h10,12-13H,1-9H2
InChIKeyJLEXYQCGTHMMCR-UHFFFAOYSA-N
XLogP0.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(cyclooctylmethylamino)oxan-4-yl]methanol
CID 114207828
[1-(cyclobutylmethylamino)cyclohexyl]methanol
CID 65459866
[3-(cyclopropylmethylamino)oxolan-3-yl]methanol
CID 63333038
[1-(oxan-3-ylmethylamino)cyclopropyl]methanol
CID 115909437
[1-(oxolan-3-ylmethylamino)cyclohexyl]methanol
CID 62520251
[1-(cyclopropylmethylamino)-4-ethylcyclohexyl]methanol
CID 61056029
[1-[(3,3-difluorocyclohexyl)methylamino]cyclohexyl]methanol
CID 114223810
[4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol
CID 61044749
trans-(1R,2R)-2-[[4-(hydroxymethyl)oxan-4-yl]amino]cyclohexan-1-ol
CID 106298082
2-cyclopropyl-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 104630587
[4-(3-aminopropylamino)oxan-4-yl]methanol
CID 106297046
[4-methyl-1-(piperidin-4-ylmethylamino)cyclohexyl]methanol
CID 79708030

Frequently Asked Questions

What is the IUPAC name of [4-(cyclobutylmethylamino)oxan-4-yl]methanol?
The IUPAC name of [4-(cyclobutylmethylamino)oxan-4-yl]methanol (CID 103713933) is [4-(cyclobutylmethylamino)oxan-4-yl]methanol.
What is the SMILES notation for [4-(cyclobutylmethylamino)oxan-4-yl]methanol?
The canonical SMILES for [4-(cyclobutylmethylamino)oxan-4-yl]methanol is OCC1(NCC2CCC2)CCOCC1.
What is the InChIKey of [4-(cyclobutylmethylamino)oxan-4-yl]methanol?
The InChIKey is JLEXYQCGTHMMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c13-9-11(4-6-14-7-5-11)12-8-10-2-1-3-10/h10,12-13H,1-9H2.
What are the key properties of [4-(cyclobutylmethylamino)oxan-4-yl]methanol?
[4-(cyclobutylmethylamino)oxan-4-yl]methanol has a molecular weight of 199.29 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclobutylmethylamino)oxan-4-yl]methanol is sourced from PubChem (CID 103713933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).