2,2-dimethyl-3-(4-propylanilino)cyclobutan-1-ol

C15H23NO — CID 112633298

IUPAC2,2-dimethyl-3-(4-propylanilino)cyclobutan-1-ol
SMILESCCCc1ccc(NC2CC(O)C2(C)C)cc1
InChIInChI=1S/C15H23NO/c1-4-5-11-6-8-12(9-7-11)16-13-10-14(17)15(13,2)3/h6-9,13-14,16-17H,4-5,10H2,1-3H3
InChIKeyVRENRLAFFWJVHV-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.21
Rot. Bonds4

About 2,2-dimethyl-3-(4-propylanilino)cyclobutan-1-ol

2,2-dimethyl-3-(4-propylanilino)cyclobutan-1-ol (PubChem CID 112633298) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-propylanilino)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-propylanilino)cyclobutan-1-ol
PubChem CID112633298
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2,2-dimethyl-3-(4-propylanilino)cyclobutan-1-ol
SMILESCCCc1ccc(NC2CC(O)C2(C)C)cc1
InChIInChI=1S/C15H23NO/c1-4-5-11-6-8-12(9-7-11)16-13-10-14(17)15(13,2)3/h6-9,13-14,16-17H,4-5,10H2,1-3H3
InChIKeyVRENRLAFFWJVHV-UHFFFAOYSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(4-propylsulfonylanilino)cyclobutan-1-ol
CID 114630105
2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol
CID 112633171
2,2-dimethyl-3-[4-(morpholin-4-ylmethyl)anilino]cyclobutan-1-ol
CID 115972171
3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol
CID 106751240
4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzenesulfonamide
CID 112633693
2,2-dimethyl-3-[4-(triazol-2-yl)anilino]cyclobutan-1-ol
CID 112633683
N-cyclopropyl-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide
CID 115972221
trans-(1S,2S)-2-(4-propylanilino)cyclopentan-1-ol
CID 102733091
trans-(1R,2R)-2-(4-propylanilino)cyclopentan-1-ol
CID 102733092
2-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]ethanol
CID 64850757
3-(3-iodo-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633569
3-(3,5-dichloroanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633168

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-propylanilino)cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(4-propylanilino)cyclobutan-1-ol (CID 112633298) is 2,2-dimethyl-3-(4-propylanilino)cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(4-propylanilino)cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(4-propylanilino)cyclobutan-1-ol is CCCc1ccc(NC2CC(O)C2(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-3-(4-propylanilino)cyclobutan-1-ol?
The InChIKey is VRENRLAFFWJVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-5-11-6-8-12(9-7-11)16-13-10-14(17)15(13,2)3/h6-9,13-14,16-17H,4-5,10H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(4-propylanilino)cyclobutan-1-ol?
2,2-dimethyl-3-(4-propylanilino)cyclobutan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-propylanilino)cyclobutan-1-ol is sourced from PubChem (CID 112633298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).