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

C11H22N2O — CID 112633891

IUPAC2,2-dimethyl-3-[(1-methylpyrrolidin-3-yl)amino]cyclobutan-1-ol
SMILESCN1CCC(NC2CC(O)C2(C)C)C1
InChIInChI=1S/C11H22N2O/c1-11(2)9(6-10(11)14)12-8-4-5-13(3)7-8/h8-10,12,14H,4-7H2,1-3H3
InChIKeyFKCJKMASJGTBIB-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.44
Rot. Bonds2

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

2,2-dimethyl-3-[(1-methylpyrrolidin-3-yl)amino]cyclobutan-1-ol (PubChem CID 112633891) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(1-methylpyrrolidin-3-yl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(1-methylpyrrolidin-3-yl)amino]cyclobutan-1-ol
PubChem CID112633891
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2,2-dimethyl-3-[(1-methylpyrrolidin-3-yl)amino]cyclobutan-1-ol
SMILESCN1CCC(NC2CC(O)C2(C)C)C1
InChIInChI=1S/C11H22N2O/c1-11(2)9(6-10(11)14)12-8-4-5-13(3)7-8/h8-10,12,14H,4-7H2,1-3H3
InChIKeyFKCJKMASJGTBIB-UHFFFAOYSA-N
XLogP0.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]cyclobutan-1-ol
CID 114629269
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-1-methylpyrrolidin-3-amine
CID 64851962
2,2-dimethyl-3-[(1-propylazepan-4-yl)amino]cyclobutan-1-ol
CID 114629183
2,2-dimethyl-3-[(2-methyloxan-4-yl)amino]cyclobutan-1-ol
CID 115977876
2-[(1-methylpyrrolidin-3-yl)amino]cyclohexan-1-ol
CID 61462250
1-methyl-N-(oxetan-3-yl)pyrrolidin-3-amine
CID 63623290
3-[(4-tert-butylcycloheptyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114629253
N-(3-methoxycyclobutyl)-1-methylpyrrolidin-3-amine
CID 104871437
3-[(2,2-dimethylcyclohexyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 112634164
1-methyl-N-(oxan-4-yl)pyrrolidin-3-amine
CID 61462196
1-methyl-N-(2,4,4-trimethylcyclohexyl)pyrrolidin-3-amine
CID 81320957
1-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 131018352

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(1-methylpyrrolidin-3-yl)amino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(1-methylpyrrolidin-3-yl)amino]cyclobutan-1-ol (CID 112633891) is 2,2-dimethyl-3-[(1-methylpyrrolidin-3-yl)amino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(1-methylpyrrolidin-3-yl)amino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(1-methylpyrrolidin-3-yl)amino]cyclobutan-1-ol is CN1CCC(NC2CC(O)C2(C)C)C1.
What is the InChIKey of 2,2-dimethyl-3-[(1-methylpyrrolidin-3-yl)amino]cyclobutan-1-ol?
The InChIKey is FKCJKMASJGTBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(2)9(6-10(11)14)12-8-4-5-13(3)7-8/h8-10,12,14H,4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[(1-methylpyrrolidin-3-yl)amino]cyclobutan-1-ol?
2,2-dimethyl-3-[(1-methylpyrrolidin-3-yl)amino]cyclobutan-1-ol has a molecular weight of 198.31 g/mol, XLogP of 0.44, 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-[(1-methylpyrrolidin-3-yl)amino]cyclobutan-1-ol is sourced from PubChem (CID 112633891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).