2,2-dimethyl-3-[[3-(2-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol

C17H25NO — CID 115977800

IUPAC2,2-dimethyl-3-[[3-(2-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol
SMILESCc1ccccc1C1CC(NC2CC(O)C2(C)C)C1
InChIInChI=1S/C17H25NO/c1-11-6-4-5-7-14(11)12-8-13(9-12)18-15-10-16(19)17(15,2)3/h4-7,12-13,15-16,18-19H,8-10H2,1-3H3
InChIKeyWMRQHWWJDJFRSS-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.99
Rot. Bonds3

About 2,2-dimethyl-3-[[3-(2-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol

2,2-dimethyl-3-[[3-(2-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol (PubChem CID 115977800) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[3-(2-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[[3-(2-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol
PubChem CID115977800
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2,2-dimethyl-3-[[3-(2-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol
SMILESCc1ccccc1C1CC(NC2CC(O)C2(C)C)C1
InChIInChI=1S/C17H25NO/c1-11-6-4-5-7-14(11)12-8-13(9-12)18-15-10-16(19)17(15,2)3/h4-7,12-13,15-16,18-19H,8-10H2,1-3H3
InChIKeyWMRQHWWJDJFRSS-UHFFFAOYSA-N
XLogP2.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-[[3-(3-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol
CID 114629282
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
3-(2-methylphenyl)cyclobutan-1-ol
CID 60792741
3-(cyclopropylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633086
2-methyl-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43634045
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114628980
9-[[3-(2-methylphenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one
CID 126838075
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
CID 114631542
N-[3-(2-methylphenyl)cyclobutyl]thian-3-amine
CID 113383826
3-[(2-cyclopropylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114629076
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine;2,2,2-trifluoroacetic acid
CID 175794662
4-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol
CID 106841126

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[3-(2-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[[3-(2-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol (CID 115977800) is 2,2-dimethyl-3-[[3-(2-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[[3-(2-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[[3-(2-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol is Cc1ccccc1C1CC(NC2CC(O)C2(C)C)C1.
What is the InChIKey of 2,2-dimethyl-3-[[3-(2-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol?
The InChIKey is WMRQHWWJDJFRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-11-6-4-5-7-14(11)12-8-13(9-12)18-15-10-16(19)17(15,2)3/h4-7,12-13,15-16,18-19H,8-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[[3-(2-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol?
2,2-dimethyl-3-[[3-(2-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol has a molecular weight of 259.39 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[3-(2-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol is sourced from PubChem (CID 115977800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).