[1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]cyclobutyl]methanol

C13H25NO2 — CID 115927998

IUPAC[1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]cyclobutyl]methanol
SMILESCC1(C)CC(NC2(CO)CCC2)C(C)(C)O1
InChIInChI=1S/C13H25NO2/c1-11(2)8-10(12(3,4)16-11)14-13(9-15)6-5-7-13/h10,14-15H,5-9H2,1-4H3
InChIKeyWGXJLMOEXHKXNW-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.84
Rot. Bonds3

About [1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]cyclobutyl]methanol

[1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]cyclobutyl]methanol (PubChem CID 115927998) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is [1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]cyclobutyl]methanol
PubChem CID115927998
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name[1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]cyclobutyl]methanol
SMILESCC1(C)CC(NC2(CO)CCC2)C(C)(C)O1
InChIInChI=1S/C13H25NO2/c1-11(2)8-10(12(3,4)16-11)14-13(9-15)6-5-7-13/h10,14-15H,5-9H2,1-4H3
InChIKeyWGXJLMOEXHKXNW-UHFFFAOYSA-N
XLogP1.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclobutyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 103881165
[1-[(3,3-dimethylcyclobutyl)amino]cyclopropyl]methanol
CID 131176342
N-methoxy-2,2,5,5-tetramethyloxolan-3-amine
CID 82707260
2-(1-aminocyclobutyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanone
CID 114624678
3-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]pentan-3-ol
CID 79927543
N-[(1S)-1-cycloheptylethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 81391451
trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclobutyl]amino]cyclopentan-1-ol
CID 102734161
2-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]ethanol
CID 79927130
[(1R,4S)-4-[[(3S)-2,2,5,5-tetramethyloxolan-3-yl]amino]cyclopent-2-en-1-yl]methanol
CID 99821509
[1-(cyclopentylamino)cyclododecyl]methanol
CID 63428229
[1-[[(1S,2S)-2-ethyl-1-methylcyclopropyl]methylamino]cyclobutyl]methanol
CID 68765084
4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]oxolan-3-ol
CID 62553193

Frequently Asked Questions

What is the IUPAC name of [1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]cyclobutyl]methanol?
The IUPAC name of [1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]cyclobutyl]methanol (CID 115927998) is [1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]cyclobutyl]methanol.
What is the SMILES notation for [1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]cyclobutyl]methanol?
The canonical SMILES for [1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]cyclobutyl]methanol is CC1(C)CC(NC2(CO)CCC2)C(C)(C)O1.
What is the InChIKey of [1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]cyclobutyl]methanol?
The InChIKey is WGXJLMOEXHKXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(2)8-10(12(3,4)16-11)14-13(9-15)6-5-7-13/h10,14-15H,5-9H2,1-4H3.
What are the key properties of [1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]cyclobutyl]methanol?
[1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]cyclobutyl]methanol has a molecular weight of 227.35 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,2,5,5-tetramethyloxolan-3-yl)amino]cyclobutyl]methanol is sourced from PubChem (CID 115927998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).