1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol

C12H23NO2 — CID 52908329

IUPAC1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1(CNCC2(O)CCCC2)CCCC1
InChIInChI=1S/C12H23NO2/c14-11(5-1-2-6-11)9-13-10-12(15)7-3-4-8-12/h13-15H,1-10H2
InChIKeyXVYCDWUHEKHUMY-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.19
Rot. Bonds4

About 1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol

1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 52908329) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol
PubChem CID52908329
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1(CNCC2(O)CCCC2)CCCC1
InChIInChI=1S/C12H23NO2/c14-11(5-1-2-6-11)9-13-10-12(15)7-3-4-8-12/h13-15H,1-10H2
InChIKeyXVYCDWUHEKHUMY-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol (CID 52908329) is 1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol is OC1(CNCC2(O)CCCC2)CCCC1.
What is the InChIKey of 1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is XVYCDWUHEKHUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c14-11(5-1-2-6-11)9-13-10-12(15)7-3-4-8-12/h13-15H,1-10H2.
What are the key properties of 1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol?
1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 52908329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).