2-[[2-(hydroxymethyl)cyclohexyl]amino]cyclopentan-1-ol

C12H23NO2 — CID 106361174

IUPAC2-[[2-(hydroxymethyl)cyclohexyl]amino]cyclopentan-1-ol
SMILESOCC1CCCCC1NC1CCCC1O
InChIInChI=1S/C12H23NO2/c14-8-9-4-1-2-5-10(9)13-11-6-3-7-12(11)15/h9-15H,1-8H2
InChIKeyPTBRKHVDFACKIJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.04
Rot. Bonds3

About 2-[[2-(hydroxymethyl)cyclohexyl]amino]cyclopentan-1-ol

2-[[2-(hydroxymethyl)cyclohexyl]amino]cyclopentan-1-ol (PubChem CID 106361174) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)cyclohexyl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)cyclohexyl]amino]cyclopentan-1-ol
PubChem CID106361174
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[[2-(hydroxymethyl)cyclohexyl]amino]cyclopentan-1-ol
SMILESOCC1CCCCC1NC1CCCC1O
InChIInChI=1S/C12H23NO2/c14-8-9-4-1-2-5-10(9)13-11-6-3-7-12(11)15/h9-15H,1-8H2
InChIKeyPTBRKHVDFACKIJ-UHFFFAOYSA-N
XLogP1.04
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(hydroxymethyl)cyclohexyl]amino]cycloheptan-1-ol
CID 106361103
2-[(2-ethylcyclopentyl)amino]cyclopentan-1-ol
CID 130639368
[2-[[2-(aminomethyl)cyclopentyl]amino]cyclohexyl]methanol
CID 106359831
2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol
CID 102731599
[2-(cyclopropylamino)cyclopentyl]methanol
CID 83863384
2-[(2-ethylcyclobutyl)amino]cyclopentan-1-ol
CID 130676502
[2-[(2-methylthian-3-yl)amino]cyclohexyl]methanol
CID 106359743
cis-(1S,2R)-2-(cyclobutylamino)cyclohexan-1-ol
CID 94414916
cis-(1S,2R)-2-[[(1R,2S)-2-methylcyclopentyl]amino]cyclohexan-1-ol
CID 95377487
[2-[(2,5-dimethylcyclohexyl)amino]cyclopentyl]methanol
CID 106359519
2-(cycloheptylamino)cyclopentan-1-ol
CID 60713716
[(1S)-2-(methylamino)cyclopentyl]methanol
CID 123545278

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)cyclohexyl]amino]cyclopentan-1-ol?
The IUPAC name of 2-[[2-(hydroxymethyl)cyclohexyl]amino]cyclopentan-1-ol (CID 106361174) is 2-[[2-(hydroxymethyl)cyclohexyl]amino]cyclopentan-1-ol.
What is the SMILES notation for 2-[[2-(hydroxymethyl)cyclohexyl]amino]cyclopentan-1-ol?
The canonical SMILES for 2-[[2-(hydroxymethyl)cyclohexyl]amino]cyclopentan-1-ol is OCC1CCCCC1NC1CCCC1O.
What is the InChIKey of 2-[[2-(hydroxymethyl)cyclohexyl]amino]cyclopentan-1-ol?
The InChIKey is PTBRKHVDFACKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c14-8-9-4-1-2-5-10(9)13-11-6-3-7-12(11)15/h9-15H,1-8H2.
What are the key properties of 2-[[2-(hydroxymethyl)cyclohexyl]amino]cyclopentan-1-ol?
2-[[2-(hydroxymethyl)cyclohexyl]amino]cyclopentan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)cyclohexyl]amino]cyclopentan-1-ol is sourced from PubChem (CID 106361174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).