3-[[(3-methoxycyclohexyl)amino]methyl]-2-methyloxolan-3-ol

C13H25NO3 — CID 114078738

IUPAC3-[[(3-methoxycyclohexyl)amino]methyl]-2-methyloxolan-3-ol
SMILESCOC1CCCC(NCC2(O)CCOC2C)C1
InChIInChI=1S/C13H25NO3/c1-10-13(15,6-7-17-10)9-14-11-4-3-5-12(8-11)16-2/h10-12,14-15H,3-9H2,1-2H3
InChIKeyFIXONDTWDFHJFR-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.07
Rot. Bonds4

About 3-[[(3-methoxycyclohexyl)amino]methyl]-2-methyloxolan-3-ol

3-[[(3-methoxycyclohexyl)amino]methyl]-2-methyloxolan-3-ol (PubChem CID 114078738) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[[(3-methoxycyclohexyl)amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(3-methoxycyclohexyl)amino]methyl]-2-methyloxolan-3-ol
PubChem CID114078738
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name3-[[(3-methoxycyclohexyl)amino]methyl]-2-methyloxolan-3-ol
SMILESCOC1CCCC(NCC2(O)CCOC2C)C1
InChIInChI=1S/C13H25NO3/c1-10-13(15,6-7-17-10)9-14-11-4-3-5-12(8-11)16-2/h10-12,14-15H,3-9H2,1-2H3
InChIKeyFIXONDTWDFHJFR-UHFFFAOYSA-N
XLogP1.07
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol
CID 107270657
1-[4-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]piperidin-1-yl]ethanone
CID 107268371
2-methyl-3-[[(2-methylcyclohexyl)amino]methyl]oxolan-3-ol
CID 107270894
3-[[[3-(4-methoxyphenyl)cyclobutyl]amino]methyl]-2-methyloxolan-3-ol
CID 106100153
2-methyl-3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]methyl]oxolan-3-ol
CID 107270731
3-methoxy-N-[(1-methylsulfanylcyclohexyl)methyl]cyclohexan-1-amine
CID 114115962
3-[[(3-ethoxyspiro[3.3]heptan-1-yl)amino]methyl]-2-methyloxolan-3-ol
CID 107270579
3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]-2-methyloxolan-3-ol
CID 106101096
1-cyclohexyl-3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]urea
CID 107265907
N-cycloheptyl-2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]acetamide
CID 106101003
2-methyl-3-[(oxan-4-ylmethylamino)methyl]oxolan-3-ol
CID 107268217
1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-ol
CID 65107402

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-methoxycyclohexyl)amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(3-methoxycyclohexyl)amino]methyl]-2-methyloxolan-3-ol (CID 114078738) is 3-[[(3-methoxycyclohexyl)amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(3-methoxycyclohexyl)amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(3-methoxycyclohexyl)amino]methyl]-2-methyloxolan-3-ol is COC1CCCC(NCC2(O)CCOC2C)C1.
What is the InChIKey of 3-[[(3-methoxycyclohexyl)amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is FIXONDTWDFHJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-10-13(15,6-7-17-10)9-14-11-4-3-5-12(8-11)16-2/h10-12,14-15H,3-9H2,1-2H3.
What are the key properties of 3-[[(3-methoxycyclohexyl)amino]methyl]-2-methyloxolan-3-ol?
3-[[(3-methoxycyclohexyl)amino]methyl]-2-methyloxolan-3-ol has a molecular weight of 243.35 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methoxycyclohexyl)amino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 114078738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).