trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentan-1-ol

C13H25NO2 — CID 102733972

IUPACtrans-(1S,2S)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentan-1-ol
SMILESOCC1(CN[C@H]2CCC[C@@H]2O)CCCCC1
InChIInChI=1S/C13H25NO2/c15-10-13(7-2-1-3-8-13)9-14-11-5-4-6-12(11)16/h11-12,14-16H,1-10H2/t11-,12-/m0/s1
InChIKeyWICFINUNZYRWNE-RYUDHWBXSA-N
MW227.35 g/mol
LogP1.43
Rot. Bonds4

About trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentan-1-ol

trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentan-1-ol (PubChem CID 102733972) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentan-1-ol
PubChem CID102733972
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nametrans-(1S,2S)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentan-1-ol
SMILESOCC1(CN[C@H]2CCC[C@@H]2O)CCCCC1
InChIInChI=1S/C13H25NO2/c15-10-13(7-2-1-3-8-13)9-14-11-5-4-6-12(11)16/h11-12,14-16H,1-10H2/t11-,12-/m0/s1
InChIKeyWICFINUNZYRWNE-RYUDHWBXSA-N
XLogP1.43
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]cyclopentan-1-ol
CID 102733880
[1-[[(2-ethylcyclohexyl)amino]methyl]cyclohexyl]methanol
CID 81412676
2-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol
CID 65108881
tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentyl]carbamate
CID 104844803
[1-[[(2,4,4-trimethylcyclohexyl)amino]methyl]cyclohexyl]methanol
CID 103966009
2-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclohexan-1-ol
CID 81418645
2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]cycloheptan-1-ol
CID 65120602
[1-[[(2-phenylcyclohexyl)amino]methyl]cyclopropyl]methanol
CID 81343311
4-[[1-(hydroxymethyl)cyclopropyl]methylamino]cyclohexan-1-ol
CID 106594924
2-(cyclopropylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112703981
[1-[[(1-oxothian-4-yl)amino]methyl]cyclohexyl]methanol
CID 113359582
trans-(1S,2S)-2-[(2-methyloxolan-2-yl)methylamino]cyclohexan-1-ol
CID 102731430

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentan-1-ol (CID 102733972) is trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentan-1-ol is OCC1(CN[C@H]2CCC[C@@H]2O)CCCCC1.
What is the InChIKey of trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentan-1-ol?
The InChIKey is WICFINUNZYRWNE-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H25NO2/c15-10-13(7-2-1-3-8-13)9-14-11-5-4-6-12(11)16/h11-12,14-16H,1-10H2/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentan-1-ol?
trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentan-1-ol is sourced from PubChem (CID 102733972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).