4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]oxan-4-ol

C16H31NO3 — CID 81130600

IUPAC4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]oxan-4-ol
SMILESCC(C)COC1CC(NCC2(O)CCOCC2)C1(C)C
InChIInChI=1S/C16H31NO3/c1-12(2)10-20-14-9-13(15(14,3)4)17-11-16(18)5-7-19-8-6-16/h12-14,17-18H,5-11H2,1-4H3
InChIKeyRCQJTKLZFWZWKA-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.96
Rot. Bonds6

About 4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]oxan-4-ol

4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]oxan-4-ol (PubChem CID 81130600) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]oxan-4-ol
PubChem CID81130600
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]oxan-4-ol
SMILESCC(C)COC1CC(NCC2(O)CCOCC2)C1(C)C
InChIInChI=1S/C16H31NO3/c1-12(2)10-20-14-9-13(15(14,3)4)17-11-16(18)5-7-19-8-6-16/h12-14,17-18H,5-11H2,1-4H3
InChIKeyRCQJTKLZFWZWKA-UHFFFAOYSA-N
XLogP1.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]oxan-4-ol with MolForge

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Related Compounds

1-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65117230
4-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]oxan-4-ol
CID 81131372
1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-4-methylpentan-2-ol
CID 103921147
2,2-dimethyl-N,3-bis(2-methylpropoxy)cyclobutan-1-amine
CID 82710964
3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanamide
CID 64851177
N-[(4-ethylcyclohexyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64852747
[3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]phenyl]methanol
CID 64850786
2-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]phenol
CID 115642851
1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpentan-2-ol
CID 103921361
2,2-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]-3-(2-methylpropoxy)cyclobutan-1-amine
CID 79082844
(2S)-2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanoic acid
CID 114283260
4-[[(3-ethoxycyclobutyl)amino]methyl]oxan-4-ol
CID 112554599

Frequently Asked Questions

What is the IUPAC name of 4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]oxan-4-ol (CID 81130600) is 4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]oxan-4-ol is CC(C)COC1CC(NCC2(O)CCOCC2)C1(C)C.
What is the InChIKey of 4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]oxan-4-ol?
The InChIKey is RCQJTKLZFWZWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-12(2)10-20-14-9-13(15(14,3)4)17-11-16(18)5-7-19-8-6-16/h12-14,17-18H,5-11H2,1-4H3.
What are the key properties of 4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]oxan-4-ol?
4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]oxan-4-ol has a molecular weight of 285.43 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 81130600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).