trans-(1R,2R)-2-[[4-(hydroxymethyl)oxan-4-yl]amino]cyclohexan-1-ol

C12H23NO3 — CID 106298082

IUPACtrans-(1R,2R)-2-[[4-(hydroxymethyl)oxan-4-yl]amino]cyclohexan-1-ol
SMILESOCC1(N[C@@H]2CCCC[C@H]2O)CCOCC1
InChIInChI=1S/C12H23NO3/c14-9-12(5-7-16-8-6-12)13-10-3-1-2-4-11(10)15/h10-11,13-15H,1-9H2/t10-,11-/m1/s1
InChIKeyRIUDYVWFDYJIKJ-GHMZBOCLSA-N
MW229.32 g/mol
LogP0.42
Rot. Bonds3

About trans-(1R,2R)-2-[[4-(hydroxymethyl)oxan-4-yl]amino]cyclohexan-1-ol

trans-(1R,2R)-2-[[4-(hydroxymethyl)oxan-4-yl]amino]cyclohexan-1-ol (PubChem CID 106298082) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[4-(hydroxymethyl)oxan-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[4-(hydroxymethyl)oxan-4-yl]amino]cyclohexan-1-ol
PubChem CID106298082
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametrans-(1R,2R)-2-[[4-(hydroxymethyl)oxan-4-yl]amino]cyclohexan-1-ol
SMILESOCC1(N[C@@H]2CCCC[C@H]2O)CCOCC1
InChIInChI=1S/C12H23NO3/c14-9-12(5-7-16-8-6-12)13-10-3-1-2-4-11(10)15/h10-11,13-15H,1-9H2/t10-,11-/m1/s1
InChIKeyRIUDYVWFDYJIKJ-GHMZBOCLSA-N
XLogP0.42
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclobutyl]amino]cyclopentan-1-ol
CID 102734161
trans-(1R,2R)-2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]cyclopentan-1-ol
CID 94469672
[4-(cyclooctylmethylamino)oxan-4-yl]methanol
CID 114207828
4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]oxolan-3-ol
CID 62553193
[4-(cyclobutylmethylamino)oxan-4-yl]methanol
CID 103713933
[2-[[3-(aminomethyl)oxolan-3-yl]amino]cyclohexyl]methanol
CID 106360446
4-[(2-hydroxycyclohexyl)carbamoylamino]oxane-4-carboxylic acid
CID 115293125
4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide
CID 107221619
3-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]oxolan-3-ol
CID 106100705
[4-[(3,5-dimethylcyclohexyl)amino]oxan-4-yl]methanol
CID 103922946
[4-[(1,1-dioxothiolan-3-yl)amino]oxan-4-yl]methanol
CID 103822681
2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 106296956

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[4-(hydroxymethyl)oxan-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[[4-(hydroxymethyl)oxan-4-yl]amino]cyclohexan-1-ol (CID 106298082) is trans-(1R,2R)-2-[[4-(hydroxymethyl)oxan-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[[4-(hydroxymethyl)oxan-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[[4-(hydroxymethyl)oxan-4-yl]amino]cyclohexan-1-ol is OCC1(N[C@@H]2CCCC[C@H]2O)CCOCC1.
What is the InChIKey of trans-(1R,2R)-2-[[4-(hydroxymethyl)oxan-4-yl]amino]cyclohexan-1-ol?
The InChIKey is RIUDYVWFDYJIKJ-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H23NO3/c14-9-12(5-7-16-8-6-12)13-10-3-1-2-4-11(10)15/h10-11,13-15H,1-9H2/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[[4-(hydroxymethyl)oxan-4-yl]amino]cyclohexan-1-ol?
trans-(1R,2R)-2-[[4-(hydroxymethyl)oxan-4-yl]amino]cyclohexan-1-ol has a molecular weight of 229.32 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[4-(hydroxymethyl)oxan-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 106298082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).