1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]-3-methylcyclohexan-1-ol

C17H31NO2 — CID 65116585

IUPAC1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNC2C3CCCOC3C2(C)C)C1
InChIInChI=1S/C17H31NO2/c1-12-6-4-8-17(19,10-12)11-18-14-13-7-5-9-20-15(13)16(14,2)3/h12-15,18-19H,4-11H2,1-3H3
InChIKeyNFMKKGGFLYZRJT-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.72
Rot. Bonds3

About 1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]-3-methylcyclohexan-1-ol

1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 65116585) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]-3-methylcyclohexan-1-ol
PubChem CID65116585
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNC2C3CCCOC3C2(C)C)C1
InChIInChI=1S/C17H31NO2/c1-12-6-4-8-17(19,10-12)11-18-14-13-7-5-9-20-15(13)16(14,2)3/h12-15,18-19H,4-11H2,1-3H3
InChIKeyNFMKKGGFLYZRJT-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]-3-methylcyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

4-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]oxan-4-ol
CID 81130937
2-[1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]cyclopropyl]ethanol
CID 114750778
7,7-dimethyl-N-[(1-methylcyclopentyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64865667
7,7-dimethyl-N-[(1-methylcyclobutyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 115906414
8,8-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 79352806
1-[[(2-methoxycyclohexyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65117161
N'-cyclopropyl-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N'-methylethane-1,2-diamine
CID 64865191
1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 65120782
N-(2-methoxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 113352197
(2R)-2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]propan-1-ol
CID 114987247
N-[[1-(dimethylamino)cyclobutyl]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 105415734
3-methyl-1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65117349

Frequently Asked Questions

What is the IUPAC name of 1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]-3-methylcyclohexan-1-ol (CID 65116585) is 1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]-3-methylcyclohexan-1-ol is CC1CCCC(O)(CNC2C3CCCOC3C2(C)C)C1.
What is the InChIKey of 1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is NFMKKGGFLYZRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-12-6-4-8-17(19,10-12)11-18-14-13-7-5-9-20-15(13)16(14,2)3/h12-15,18-19H,4-11H2,1-3H3.
What are the key properties of 1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]-3-methylcyclohexan-1-ol?
1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 281.44 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 65116585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).