2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol

C16H33NO — CID 62608874

IUPAC2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(CN(C)C(C)C(C)(C)C)C1
InChIInChI=1S/C16H33NO/c1-7-13-8-9-15(18)14(10-13)11-17(6)12(2)16(3,4)5/h12-15,18H,7-11H2,1-6H3
InChIKeyODGYHQCWXFPLQT-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.54
Rot. Bonds4

About 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol

2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol (PubChem CID 62608874) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol
PubChem CID62608874
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(CN(C)C(C)C(C)(C)C)C1
InChIInChI=1S/C16H33NO/c1-7-13-8-9-15(18)14(10-13)11-17(6)12(2)16(3,4)5/h12-15,18H,7-11H2,1-6H3
InChIKeyODGYHQCWXFPLQT-UHFFFAOYSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol (CID 62608874) is 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)C(CN(C)C(C)C(C)(C)C)C1.
What is the InChIKey of 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is ODGYHQCWXFPLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-7-13-8-9-15(18)14(10-13)11-17(6)12(2)16(3,4)5/h12-15,18H,7-11H2,1-6H3.
What are the key properties of 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol?
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 255.45 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 62608874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).