trans-(1S,2S)-2-[(2-methyloxolan-2-yl)methylamino]cyclohexan-1-ol

C12H23NO2 — CID 102731430

IUPACtrans-(1S,2S)-2-[(2-methyloxolan-2-yl)methylamino]cyclohexan-1-ol
SMILESCC1(CN[C@H]2CCCC[C@@H]2O)CCCO1
InChIInChI=1S/C12H23NO2/c1-12(7-4-8-15-12)9-13-10-5-2-3-6-11(10)14/h10-11,13-14H,2-9H2,1H3/t10-,11-,12?/m0/s1
InChIKeyUWWAFXSKVJXSKS-NDQFZYFBSA-N
MW213.32 g/mol
LogP1.45
Rot. Bonds3

About trans-(1S,2S)-2-[(2-methyloxolan-2-yl)methylamino]cyclohexan-1-ol

trans-(1S,2S)-2-[(2-methyloxolan-2-yl)methylamino]cyclohexan-1-ol (PubChem CID 102731430) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(2-methyloxolan-2-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(2-methyloxolan-2-yl)methylamino]cyclohexan-1-ol
PubChem CID102731430
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametrans-(1S,2S)-2-[(2-methyloxolan-2-yl)methylamino]cyclohexan-1-ol
SMILESCC1(CN[C@H]2CCCC[C@@H]2O)CCCO1
InChIInChI=1S/C12H23NO2/c1-12(7-4-8-15-12)9-13-10-5-2-3-6-11(10)14/h10-11,13-14H,2-9H2,1H3/t10-,11-,12?/m0/s1
InChIKeyUWWAFXSKVJXSKS-NDQFZYFBSA-N
XLogP1.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.45
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-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]cycloheptan-1-ol
CID 65120602
trans-(1R,2R)-2-[(3-methyloxetan-3-yl)methylamino]cyclohexan-1-ol
CID 102731427
3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol
CID 106100705
2-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol
CID 65108881
trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentan-1-ol
CID 102733972
4-ethyl-1-[[(2-hydroxycyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65118682
trans-(1R,2R)-2-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)cyclohexan-1-ol
CID 154755007
trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660461
cis-(1R,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660465
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(2-methyloxolan-2-yl)methyl]urea
CID 109398834
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(2-methyloxolan-2-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(2-methyloxolan-2-yl)methylamino]cyclohexan-1-ol (CID 102731430) is trans-(1S,2S)-2-[(2-methyloxolan-2-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(2-methyloxolan-2-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(2-methyloxolan-2-yl)methylamino]cyclohexan-1-ol is CC1(CN[C@H]2CCCC[C@@H]2O)CCCO1.
What is the InChIKey of trans-(1S,2S)-2-[(2-methyloxolan-2-yl)methylamino]cyclohexan-1-ol?
The InChIKey is UWWAFXSKVJXSKS-NDQFZYFBSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(7-4-8-15-12)9-13-10-5-2-3-6-11(10)14/h10-11,13-14H,2-9H2,1H3/t10-,11-,12?/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(2-methyloxolan-2-yl)methylamino]cyclohexan-1-ol?
trans-(1S,2S)-2-[(2-methyloxolan-2-yl)methylamino]cyclohexan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(2-methyloxolan-2-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102731430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).