2,2-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-ol

C16H31NO2 — CID 79848513

IUPAC2,2-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-ol
SMILESCN(CC1CCOCC1)CC1CCCC(C)(C)C1O
InChIInChI=1S/C16H31NO2/c1-16(2)8-4-5-14(15(16)18)12-17(3)11-13-6-9-19-10-7-13/h13-15,18H,4-12H2,1-3H3
InChIKeyIHCCTHPROTZRRJ-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.53
Rot. Bonds4

About 2,2-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-ol

2,2-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-ol (PubChem CID 79848513) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2,2-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-ol
PubChem CID79848513
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2,2-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-ol
SMILESCN(CC1CCOCC1)CC1CCCC(C)(C)C1O
InChIInChI=1S/C16H31NO2/c1-16(2)8-4-5-14(15(16)18)12-17(3)11-13-6-9-19-10-7-13/h13-15,18H,4-12H2,1-3H3
InChIKeyIHCCTHPROTZRRJ-UHFFFAOYSA-N
XLogP2.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2,2-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-ol (CID 79848513) is 2,2-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2,2-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2,2-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-ol is CN(CC1CCOCC1)CC1CCCC(C)(C)C1O.
What is the InChIKey of 2,2-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is IHCCTHPROTZRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-16(2)8-4-5-14(15(16)18)12-17(3)11-13-6-9-19-10-7-13/h13-15,18H,4-12H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-ol?
2,2-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 79848513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).