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

C17H25NO — CID 114629282

IUPAC2,2-dimethyl-3-[[3-(3-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol
SMILESCc1cccc(C2CC(NC3CC(O)C3(C)C)C2)c1
InChIInChI=1S/C17H25NO/c1-11-5-4-6-12(7-11)13-8-14(9-13)18-15-10-16(19)17(15,2)3/h4-7,13-16,18-19H,8-10H2,1-3H3
InChIKeyIIHLWUMVQGEJQI-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.99
Rot. Bonds3

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

2,2-dimethyl-3-[[3-(3-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol (PubChem CID 114629282) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[3-(3-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[[3-(3-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol
PubChem CID114629282
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2,2-dimethyl-3-[[3-(3-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol
SMILESCc1cccc(C2CC(NC3CC(O)C3(C)C)C2)c1
InChIInChI=1S/C17H25NO/c1-11-5-4-6-12(7-11)13-8-14(9-13)18-15-10-16(19)17(15,2)3/h4-7,13-16,18-19H,8-10H2,1-3H3
InChIKeyIIHLWUMVQGEJQI-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-(2-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol
CID 115977800
2-[[3-(3-methylphenyl)cyclobutyl]amino]cyclohexan-1-ol
CID 62358842
N-[3-(3-methylphenyl)cyclobutyl]cyclopentanamine
CID 43632705
2,2-dimethyl-3-[(3-methylphenyl)methylamino]cyclobutan-1-ol
CID 112633293
2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol
CID 112633098
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol
CID 43635472
3-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 113357530
1-ethyl-N-[3-(3-methylphenyl)cyclobutyl]piperidin-4-amine
CID 61039134
3-(cyclopropylamino)-2,2-dimethylcyclobutan-1-ol
CID 112633086

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[3-(3-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[[3-(3-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol (CID 114629282) is 2,2-dimethyl-3-[[3-(3-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[[3-(3-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[[3-(3-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol is Cc1cccc(C2CC(NC3CC(O)C3(C)C)C2)c1.
What is the InChIKey of 2,2-dimethyl-3-[[3-(3-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol?
The InChIKey is IIHLWUMVQGEJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-11-5-4-6-12(7-11)13-8-14(9-13)18-15-10-16(19)17(15,2)3/h4-7,13-16,18-19H,8-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[[3-(3-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol?
2,2-dimethyl-3-[[3-(3-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-(3-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol is sourced from PubChem (CID 114629282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).