[1-[(2,3,5,6-tetramethylanilino)methyl]cyclobutyl]methanol

C16H25NO — CID 115246701

IUPAC[1-[(2,3,5,6-tetramethylanilino)methyl]cyclobutyl]methanol
SMILESCc1cc(C)c(C)c(NCC2(CO)CCC2)c1C
InChIInChI=1S/C16H25NO/c1-11-8-12(2)14(4)15(13(11)3)17-9-16(10-18)6-5-7-16/h8,17-18H,5-7,9-10H2,1-4H3
InChIKeySDOVNYOFTVKLQX-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.49
Rot. Bonds4

About [1-[(2,3,5,6-tetramethylanilino)methyl]cyclobutyl]methanol

[1-[(2,3,5,6-tetramethylanilino)methyl]cyclobutyl]methanol (PubChem CID 115246701) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [1-[(2,3,5,6-tetramethylanilino)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(2,3,5,6-tetramethylanilino)methyl]cyclobutyl]methanol
PubChem CID115246701
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[1-[(2,3,5,6-tetramethylanilino)methyl]cyclobutyl]methanol
SMILESCc1cc(C)c(C)c(NCC2(CO)CCC2)c1C
InChIInChI=1S/C16H25NO/c1-11-8-12(2)14(4)15(13(11)3)17-9-16(10-18)6-5-7-16/h8,17-18H,5-7,9-10H2,1-4H3
InChIKeySDOVNYOFTVKLQX-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,3,5,6-tetramethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242711
[1-[[(2,3,5,6-tetramethylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 115243454
[1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246948
[1-[(2,6-difluoro-3-methylanilino)methyl]cyclohexyl]methanol
CID 82818537
[1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol
CID 115358022
[1-[(4,5-dimethoxy-2-methylanilino)methyl]cyclohexyl]methanol
CID 81401104
[1-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246983
[1-[(2,3,4-trimethylanilino)methyl]cyclopropyl]methanol
CID 115243291
[1-[(4-amino-5-chloro-2-methylanilino)methyl]cyclopentyl]methanol
CID 115555162
[1-[[(5-methyl-1,3-thiazol-2-yl)amino]methyl]cyclobutyl]methanol
CID 131204109
[1-[[3-(dimethylamino)-4-methylanilino]methyl]cyclohexyl]methanol
CID 115377142
[1-[[(5-methylpyridazin-3-yl)amino]methyl]cyclopentyl]methanol
CID 106549888

Frequently Asked Questions

What is the IUPAC name of [1-[(2,3,5,6-tetramethylanilino)methyl]cyclobutyl]methanol?
The IUPAC name of [1-[(2,3,5,6-tetramethylanilino)methyl]cyclobutyl]methanol (CID 115246701) is [1-[(2,3,5,6-tetramethylanilino)methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[(2,3,5,6-tetramethylanilino)methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[(2,3,5,6-tetramethylanilino)methyl]cyclobutyl]methanol is Cc1cc(C)c(C)c(NCC2(CO)CCC2)c1C.
What is the InChIKey of [1-[(2,3,5,6-tetramethylanilino)methyl]cyclobutyl]methanol?
The InChIKey is SDOVNYOFTVKLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-8-12(2)14(4)15(13(11)3)17-9-16(10-18)6-5-7-16/h8,17-18H,5-7,9-10H2,1-4H3.
What are the key properties of [1-[(2,3,5,6-tetramethylanilino)methyl]cyclobutyl]methanol?
[1-[(2,3,5,6-tetramethylanilino)methyl]cyclobutyl]methanol has a molecular weight of 247.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,3,5,6-tetramethylanilino)methyl]cyclobutyl]methanol is sourced from PubChem (CID 115246701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).