1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol

C12H25NO4 — CID 106990051

IUPAC1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol
SMILESCOCCOCC(O)CNCC1(O)CCCC1
InChIInChI=1S/C12H25NO4/c1-16-6-7-17-9-11(14)8-13-10-12(15)4-2-3-5-12/h11,13-15H,2-10H2,1H3
InChIKeyHPNOKMJSYPKREG-UHFFFAOYSA-N
MW247.33 g/mol
LogP-0.09
Rot. Bonds9

About 1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol

1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol (PubChem CID 106990051) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is 1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol
PubChem CID106990051
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Name1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol
SMILESCOCCOCC(O)CNCC1(O)CCCC1
InChIInChI=1S/C12H25NO4/c1-16-6-7-17-9-11(14)8-13-10-12(15)4-2-3-5-12/h11,13-15H,2-10H2,1H3
InChIKeyHPNOKMJSYPKREG-UHFFFAOYSA-N
XLogP-0.09
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cycloheptan-1-ol
CID 65123306
1-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]cycloheptan-1-ol
CID 65122363
1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cyclopentan-1-ol
CID 65109325
1-[[(3-methoxy-2-methylpropyl)amino]methyl]cyclopentan-1-ol
CID 65210997
1-[(1-ethylcyclobutyl)amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106990533
1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cycloheptan-1-ol
CID 65122217
1-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 107163780
1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115828
1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol
CID 106990539
1-[(2-methoxyethylamino)methyl]cyclopentan-1-ol
CID 62773566
ethyl 3-hydroxy-4-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 103253206
1-[(2-methoxyethylamino)methyl]cyclobutan-1-ol
CID 80500939

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol (CID 106990051) is 1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol is COCCOCC(O)CNCC1(O)CCCC1.
What is the InChIKey of 1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is HPNOKMJSYPKREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-16-6-7-17-9-11(14)8-13-10-12(15)4-2-3-5-12/h11,13-15H,2-10H2,1H3.
What are the key properties of 1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol?
1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 247.33 g/mol, XLogP of -0.09, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106990051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).