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

C12H23NO2 — CID 102733880

IUPACtrans-(1S,2S)-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]cyclopentan-1-ol
SMILESOCC1(CN[C@H]2CCC[C@@H]2O)CCCC1
InChIInChI=1S/C12H23NO2/c14-9-12(6-1-2-7-12)8-13-10-4-3-5-11(10)15/h10-11,13-15H,1-9H2/t10-,11-/m0/s1
InChIKeyPFJLLHWVCNCJKF-QWRGUYRKSA-N
MW213.32 g/mol
LogP1.04
Rot. Bonds4

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

trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]cyclopentan-1-ol (PubChem CID 102733880) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]cyclopentan-1-ol
PubChem CID102733880
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametrans-(1S,2S)-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]cyclopentan-1-ol
SMILESOCC1(CN[C@H]2CCC[C@@H]2O)CCCC1
InChIInChI=1S/C12H23NO2/c14-9-12(6-1-2-7-12)8-13-10-4-3-5-11(10)15/h10-11,13-15H,1-9H2/t10-,11-/m0/s1
InChIKeyPFJLLHWVCNCJKF-QWRGUYRKSA-N
XLogP1.04
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentan-1-ol
CID 102733972
2-[(1-hydroxycyclopentyl)methylamino]cyclohexan-1-ol
CID 65108881
[1-[[(2-ethylcyclohexyl)amino]methyl]cyclohexyl]methanol
CID 81412676
trans-(1S,2S)-2-[(1-methylcyclopentyl)methylamino]cyclohexan-1-ol
CID 102731253
tert-butyl N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]cyclopentyl]carbamate
CID 104844803
[1-[[(2-phenylcyclohexyl)amino]methyl]cyclopropyl]methanol
CID 81343311
[1-[[(2,4,4-trimethylcyclohexyl)amino]methyl]cyclohexyl]methanol
CID 103966009
4-[[1-(hydroxymethyl)cyclopropyl]methylamino]cyclohexan-1-ol
CID 106594924
2-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]cyclohexan-1-ol
CID 81418645
trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclobutyl]amino]cyclopentan-1-ol
CID 102734161
2-[(2-hydroxycyclohexyl)amino]acetic acid
CID 60886714
2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]cycloheptan-1-ol
CID 65120602

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]cyclopentan-1-ol (CID 102733880) is trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]cyclopentan-1-ol is OCC1(CN[C@H]2CCC[C@@H]2O)CCCC1.
What is the InChIKey of trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]cyclopentan-1-ol?
The InChIKey is PFJLLHWVCNCJKF-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H23NO2/c14-9-12(6-1-2-7-12)8-13-10-4-3-5-11(10)15/h10-11,13-15H,1-9H2/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]cyclopentan-1-ol?
trans-(1S,2S)-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]cyclopentan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.04, 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)cyclopentyl]methylamino]cyclopentan-1-ol is sourced from PubChem (CID 102733880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).