trans-(1R,2R)-2-[(3-methyloxetan-3-yl)methylamino]cyclohexan-1-ol

C11H21NO2 — CID 102731427

IUPACtrans-(1R,2R)-2-[(3-methyloxetan-3-yl)methylamino]cyclohexan-1-ol
SMILESCC1(CN[C@@H]2CCCC[C@H]2O)COC1
InChIInChI=1S/C11H21NO2/c1-11(7-14-8-11)6-12-9-4-2-3-5-10(9)13/h9-10,12-13H,2-8H2,1H3/t9-,10-/m1/s1
InChIKeyVULAVAVCTUABCQ-NXEZZACHSA-N
MW199.29 g/mol
LogP0.92
Rot. Bonds3

About trans-(1R,2R)-2-[(3-methyloxetan-3-yl)methylamino]cyclohexan-1-ol

trans-(1R,2R)-2-[(3-methyloxetan-3-yl)methylamino]cyclohexan-1-ol (PubChem CID 102731427) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(3-methyloxetan-3-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(3-methyloxetan-3-yl)methylamino]cyclohexan-1-ol
PubChem CID102731427
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametrans-(1R,2R)-2-[(3-methyloxetan-3-yl)methylamino]cyclohexan-1-ol
SMILESCC1(CN[C@@H]2CCCC[C@H]2O)COC1
InChIInChI=1S/C11H21NO2/c1-11(7-14-8-11)6-12-9-4-2-3-5-10(9)13/h9-10,12-13H,2-8H2,1H3/t9-,10-/m1/s1
InChIKeyVULAVAVCTUABCQ-NXEZZACHSA-N
XLogP0.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-[(1-methylcyclopentyl)methylamino]cyclohexan-1-ol
CID 102731253
2-[[(3-methyloxetan-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 64910750
trans-(1S,2S)-2-[(2-methyloxolan-2-yl)methylamino]cyclohexan-1-ol
CID 102731430
3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol
CID 106100705
2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]cycloheptan-1-ol
CID 65120602
2-methyl-N-[(3-methyloxetan-3-yl)methyl]oxolan-3-amine
CID 115338684
2-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol
CID 65108881
cis-(1R,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660465
trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660461
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
1-methyl-2-[(3-methyloxetan-3-yl)methylamino]cyclopentan-1-ol
CID 130532251
4-ethyl-1-[[(2-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65118682

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(3-methyloxetan-3-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(3-methyloxetan-3-yl)methylamino]cyclohexan-1-ol (CID 102731427) is trans-(1R,2R)-2-[(3-methyloxetan-3-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(3-methyloxetan-3-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(3-methyloxetan-3-yl)methylamino]cyclohexan-1-ol is CC1(CN[C@@H]2CCCC[C@H]2O)COC1.
What is the InChIKey of trans-(1R,2R)-2-[(3-methyloxetan-3-yl)methylamino]cyclohexan-1-ol?
The InChIKey is VULAVAVCTUABCQ-NXEZZACHSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(7-14-8-11)6-12-9-4-2-3-5-10(9)13/h9-10,12-13H,2-8H2,1H3/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(3-methyloxetan-3-yl)methylamino]cyclohexan-1-ol?
trans-(1R,2R)-2-[(3-methyloxetan-3-yl)methylamino]cyclohexan-1-ol has a molecular weight of 199.29 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(3-methyloxetan-3-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102731427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).