2,2-dimethyl-3-[(2-methyloxan-4-yl)amino]cyclobutan-1-ol

C12H23NO2 — CID 115977876

IUPAC2,2-dimethyl-3-[(2-methyloxan-4-yl)amino]cyclobutan-1-ol
SMILESCC1CC(NC2CC(O)C2(C)C)CCO1
InChIInChI=1S/C12H23NO2/c1-8-6-9(4-5-15-8)13-10-7-11(14)12(10,2)3/h8-11,13-14H,4-7H2,1-3H3
InChIKeyRCAZIPRRTAPJLW-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.30
Rot. Bonds2

About 2,2-dimethyl-3-[(2-methyloxan-4-yl)amino]cyclobutan-1-ol

2,2-dimethyl-3-[(2-methyloxan-4-yl)amino]cyclobutan-1-ol (PubChem CID 115977876) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2-methyloxan-4-yl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2-methyloxan-4-yl)amino]cyclobutan-1-ol
PubChem CID115977876
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2,2-dimethyl-3-[(2-methyloxan-4-yl)amino]cyclobutan-1-ol
SMILESCC1CC(NC2CC(O)C2(C)C)CCO1
InChIInChI=1S/C12H23NO2/c1-8-6-9(4-5-15-8)13-10-7-11(14)12(10,2)3/h8-11,13-14H,4-7H2,1-3H3
InChIKeyRCAZIPRRTAPJLW-UHFFFAOYSA-N
XLogP1.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633086
2,2-dimethyl-3-(5-oxaspiro[3.5]nonan-8-ylamino)cyclobutan-1-ol
CID 115977837
2,2-dimethyl-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclobutan-1-ol
CID 114629269
2,2-dimethyl-3-[(3-methylsulfanylcyclohexyl)amino]cyclobutan-1-ol
CID 103952052
2,2-dimethyl-3-[(1-methylpyrrolidin-3-yl)amino]cyclobutan-1-ol
CID 112633891
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methyloxolane-2-carboxamide
CID 114631025
3-[(2-methyloxan-4-yl)amino]cyclohexane-1-carboxylic acid
CID 65066194
2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxan-4-amine
CID 79351790
2-methyl-N-(4-methylcycloheptyl)oxan-4-amine
CID 102795084
3-[(4-tert-butylcycloheptyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114629253
N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyloxan-4-amine
CID 103910972
N-[(1S,2R)-2-fluorocyclopentyl]-2-methyloxan-4-amine
CID 130702555

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2-methyloxan-4-yl)amino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(2-methyloxan-4-yl)amino]cyclobutan-1-ol (CID 115977876) is 2,2-dimethyl-3-[(2-methyloxan-4-yl)amino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(2-methyloxan-4-yl)amino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(2-methyloxan-4-yl)amino]cyclobutan-1-ol is CC1CC(NC2CC(O)C2(C)C)CCO1.
What is the InChIKey of 2,2-dimethyl-3-[(2-methyloxan-4-yl)amino]cyclobutan-1-ol?
The InChIKey is RCAZIPRRTAPJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-8-6-9(4-5-15-8)13-10-7-11(14)12(10,2)3/h8-11,13-14H,4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[(2-methyloxan-4-yl)amino]cyclobutan-1-ol?
2,2-dimethyl-3-[(2-methyloxan-4-yl)amino]cyclobutan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2-methyloxan-4-yl)amino]cyclobutan-1-ol is sourced from PubChem (CID 115977876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).