2-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclohexan-1-ol

C13H25NO2 — CID 65211425

IUPAC2-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCC1(O)CCCC1
InChIInChI=1S/C13H25NO2/c15-12-6-2-1-5-11(12)9-14-10-13(16)7-3-4-8-13/h11-12,14-16H,1-10H2
InChIKeyAGXFEMMSFFTCCB-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.43
Rot. Bonds4

About 2-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclohexan-1-ol

2-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 65211425) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID65211425
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCC1(O)CCCC1
InChIInChI=1S/C13H25NO2/c15-12-6-2-1-5-11(12)9-14-10-13(16)7-3-4-8-13/h11-12,14-16H,1-10H2
InChIKeyAGXFEMMSFFTCCB-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclohexan-1-ol (CID 65211425) is 2-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclohexan-1-ol is OC1CCCCC1CNCC1(O)CCCC1.
What is the InChIKey of 2-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is AGXFEMMSFFTCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c15-12-6-2-1-5-11(12)9-14-10-13(16)7-3-4-8-13/h11-12,14-16H,1-10H2.
What are the key properties of 2-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclohexan-1-ol?
2-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclohexan-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 2-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65211425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).