2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol

C15H31NO2 — CID 79378005

IUPAC2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCCN(CC1CC(C)(C)CCC1O)CC(C)(C)O
InChIInChI=1S/C15H31NO2/c1-6-16(11-15(4,5)18)10-12-9-14(2,3)8-7-13(12)17/h12-13,17-18H,6-11H2,1-5H3
InChIKeyQUIOYROOSVHTFX-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.27
Rot. Bonds5

About 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol

2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 79378005) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID79378005
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCCN(CC1CC(C)(C)CCC1O)CC(C)(C)O
InChIInChI=1S/C15H31NO2/c1-6-16(11-15(4,5)18)10-12-9-14(2,3)8-7-13(12)17/h12-13,17-18H,6-11H2,1-5H3
InChIKeyQUIOYROOSVHTFX-UHFFFAOYSA-N
XLogP2.27
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (CID 79378005) is 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is CCN(CC1CC(C)(C)CCC1O)CC(C)(C)O.
What is the InChIKey of 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is QUIOYROOSVHTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-6-16(11-15(4,5)18)10-12-9-14(2,3)8-7-13(12)17/h12-13,17-18H,6-11H2,1-5H3.
What are the key properties of 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 257.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79378005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).