2,2-dimethyl-6-[(N,2,4-trimethylanilino)methyl]cyclohexan-1-ol

C18H29NO — CID 79848900

IUPAC2,2-dimethyl-6-[(N,2,4-trimethylanilino)methyl]cyclohexan-1-ol
SMILESCc1ccc(N(C)CC2CCCC(C)(C)C2O)c(C)c1
InChIInChI=1S/C18H29NO/c1-13-8-9-16(14(2)11-13)19(5)12-15-7-6-10-18(3,4)17(15)20/h8-9,11,15,17,20H,6-7,10,12H2,1-5H3
InChIKeyJHESQWOFAIYFFS-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.93
Rot. Bonds3

About 2,2-dimethyl-6-[(N,2,4-trimethylanilino)methyl]cyclohexan-1-ol

2,2-dimethyl-6-[(N,2,4-trimethylanilino)methyl]cyclohexan-1-ol (PubChem CID 79848900) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2,2-dimethyl-6-[(N,2,4-trimethylanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-6-[(N,2,4-trimethylanilino)methyl]cyclohexan-1-ol
PubChem CID79848900
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2,2-dimethyl-6-[(N,2,4-trimethylanilino)methyl]cyclohexan-1-ol
SMILESCc1ccc(N(C)CC2CCCC(C)(C)C2O)c(C)c1
InChIInChI=1S/C18H29NO/c1-13-8-9-16(14(2)11-13)19(5)12-15-7-6-10-18(3,4)17(15)20/h8-9,11,15,17,20H,6-7,10,12H2,1-5H3
InChIKeyJHESQWOFAIYFFS-UHFFFAOYSA-N
XLogP3.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-5-[(N,2,4-trimethylanilino)methyl]cyclopentan-1-ol
CID 79856196
N-[(2-amino-3,3-dimethylcyclohexyl)methyl]-N,2,4-trimethylaniline
CID 79849339
N,2,4-trimethyl-N-[[2-(methylamino)cyclopentyl]methyl]aniline
CID 62609293
5-[(N,4-dimethylanilino)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855052
N-ethyl-2-[(N,2,4-trimethylanilino)methyl]cycloheptan-1-amine
CID 63494639
2-[(N,2,4-trimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221380
N,2,4-trimethyl-N-[[(2R)-oxiran-2-yl]methyl]aniline
CID 130492719
6-[[2-hydroxypropyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
CID 79848357
N-ethyl-3-[(N,2,4-trimethylanilino)methyl]oxan-4-amine
CID 103059446
6-(2,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-ol
CID 79847464
6-[[benzyl(methyl)amino]methyl]-2,2-dimethylcyclohexan-1-ol
CID 79849284
N,2,4-trimethyl-N-[2-[2-(methylamino)cyclopentyl]ethyl]aniline
CID 79565020

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[(N,2,4-trimethylanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 2,2-dimethyl-6-[(N,2,4-trimethylanilino)methyl]cyclohexan-1-ol (CID 79848900) is 2,2-dimethyl-6-[(N,2,4-trimethylanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2,2-dimethyl-6-[(N,2,4-trimethylanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2,2-dimethyl-6-[(N,2,4-trimethylanilino)methyl]cyclohexan-1-ol is Cc1ccc(N(C)CC2CCCC(C)(C)C2O)c(C)c1.
What is the InChIKey of 2,2-dimethyl-6-[(N,2,4-trimethylanilino)methyl]cyclohexan-1-ol?
The InChIKey is JHESQWOFAIYFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13-8-9-16(14(2)11-13)19(5)12-15-7-6-10-18(3,4)17(15)20/h8-9,11,15,17,20H,6-7,10,12H2,1-5H3.
What are the key properties of 2,2-dimethyl-6-[(N,2,4-trimethylanilino)methyl]cyclohexan-1-ol?
2,2-dimethyl-6-[(N,2,4-trimethylanilino)methyl]cyclohexan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[(N,2,4-trimethylanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 79848900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).