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

C12H24ClNO2 — CID 54592878

IUPAC1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol;hydrochloride
SMILESCl.OC1(CNCC2(O)CCCC2)CCCC1
InChIInChI=1S/C12H23NO2.ClH/c14-11(5-1-2-6-11)9-13-10-12(15)7-3-4-8-12;/h13-15H,1-10H2;1H
InChIKeyFAFLOODXESKNCK-UHFFFAOYSA-N
MW249.78 g/mol
LogP1.61
Rot. Bonds4

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

1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol;hydrochloride (PubChem CID 54592878) has the molecular formula C12H24ClNO2 and a molecular weight of 249.78 g/mol. Its IUPAC name is 1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol;hydrochloride
PubChem CID54592878
Molecular FormulaC12H24ClNO2
Molecular Weight249.78 g/mol
Exact Mass249.15
IUPAC Name1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol;hydrochloride
SMILESCl.OC1(CNCC2(O)CCCC2)CCCC1
InChIInChI=1S/C12H23NO2.ClH/c14-11(5-1-2-6-11)9-13-10-12(15)7-3-4-8-12;/h13-15H,1-10H2;1H
InChIKeyFAFLOODXESKNCK-UHFFFAOYSA-N
XLogP1.61
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 51.61
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;hydrochloride?
The IUPAC name of 1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol;hydrochloride (CID 54592878) is 1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol;hydrochloride.
What is the SMILES notation for 1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol;hydrochloride?
The canonical SMILES for 1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol;hydrochloride is Cl.OC1(CNCC2(O)CCCC2)CCCC1.
What is the InChIKey of 1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol;hydrochloride?
The InChIKey is FAFLOODXESKNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2.ClH/c14-11(5-1-2-6-11)9-13-10-12(15)7-3-4-8-12;/h13-15H,1-10H2;1H.
What are the key properties of 1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol;hydrochloride?
1-[[(1-hydroxycyclopentyl)methylamino]methyl]cyclopentan-1-ol;hydrochloride has a molecular weight of 249.78 g/mol, XLogP of 1.61, 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;hydrochloride is sourced from PubChem (CID 54592878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).