trans-(1R,2R)-2-[3-hydroxypropyl(propan-2-yl)amino]cyclopentan-1-ol

C11H23NO2 — CID 102734568

IUPACtrans-(1R,2R)-2-[3-hydroxypropyl(propan-2-yl)amino]cyclopentan-1-ol
SMILESCC(C)N(CCCO)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C11H23NO2/c1-9(2)12(7-4-8-13)10-5-3-6-11(10)14/h9-11,13-14H,3-8H2,1-2H3/t10-,11-/m1/s1
InChIKeySWQCFWBTWACSDP-GHMZBOCLSA-N
MW201.31 g/mol
LogP0.99
Rot. Bonds5

About trans-(1R,2R)-2-[3-hydroxypropyl(propan-2-yl)amino]cyclopentan-1-ol

trans-(1R,2R)-2-[3-hydroxypropyl(propan-2-yl)amino]cyclopentan-1-ol (PubChem CID 102734568) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is trans-(1R,2R)-2-[3-hydroxypropyl(propan-2-yl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[3-hydroxypropyl(propan-2-yl)amino]cyclopentan-1-ol
PubChem CID102734568
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nametrans-(1R,2R)-2-[3-hydroxypropyl(propan-2-yl)amino]cyclopentan-1-ol
SMILESCC(C)N(CCCO)[C@@H]1CCC[C@H]1O
InChIInChI=1S/C11H23NO2/c1-9(2)12(7-4-8-13)10-5-3-6-11(10)14/h9-11,13-14H,3-8H2,1-2H3/t10-,11-/m1/s1
InChIKeySWQCFWBTWACSDP-GHMZBOCLSA-N
XLogP0.99
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-[pentyl(propan-2-yl)amino]cyclohexan-1-ol
CID 102732042
2-[2-methoxyethyl(propan-2-yl)amino]cyclopentan-1-ol
CID 82960183
3-[[(1R,2R)-2-hydroxycyclopentyl]-propan-2-ylamino]propanenitrile
CID 102734577
trans-(1S,2S)-2-[2-methylpropyl(propan-2-yl)amino]cyclopentan-1-ol
CID 102734588
3-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]propan-1-ol
CID 54993757
2-[ethyl(propan-2-yl)amino]cyclohexan-1-ol
CID 60886338
2-[3-hydroxypropyl(propan-2-yl)amino]cycloheptane-1-carbonitrile
CID 54993204
2-[ethyl(propan-2-yl)amino]cyclododecan-1-ol
CID 63470374
2-[butan-2-yl(butyl)amino]cyclooctan-1-ol
CID 63473248
2-[di(propan-2-yl)amino]ethanol;2-[(2-hydroxycyclohexyl)-methylamino]cyclohexan-1-ol
CID 138617266
trans-(1S,2S)-2-[methyl(propan-2-yl)amino]cyclopentan-1-ol
CID 93346502
2-[6-hydroxyhexyl(methyl)amino]cyclohexan-1-ol
CID 107704896

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[3-hydroxypropyl(propan-2-yl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[3-hydroxypropyl(propan-2-yl)amino]cyclopentan-1-ol (CID 102734568) is trans-(1R,2R)-2-[3-hydroxypropyl(propan-2-yl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[3-hydroxypropyl(propan-2-yl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[3-hydroxypropyl(propan-2-yl)amino]cyclopentan-1-ol is CC(C)N(CCCO)[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-[3-hydroxypropyl(propan-2-yl)amino]cyclopentan-1-ol?
The InChIKey is SWQCFWBTWACSDP-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)12(7-4-8-13)10-5-3-6-11(10)14/h9-11,13-14H,3-8H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[3-hydroxypropyl(propan-2-yl)amino]cyclopentan-1-ol?
trans-(1R,2R)-2-[3-hydroxypropyl(propan-2-yl)amino]cyclopentan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 0.99, 5 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-hydroxypropyl(propan-2-yl)amino]cyclopentan-1-ol is sourced from PubChem (CID 102734568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).