1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol

C12H25NO3 — CID 60909932

IUPAC1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol
SMILESCCOCCNCC(O)COC1CCCC1
InChIInChI=1S/C12H25NO3/c1-2-15-8-7-13-9-11(14)10-16-12-5-3-4-6-12/h11-14H,2-10H2,1H3
InChIKeyZHSNUBUPCPAUEY-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.93
Rot. Bonds9

About 1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol

1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol (PubChem CID 60909932) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol
PubChem CID60909932
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol
SMILESCCOCCNCC(O)COC1CCCC1
InChIInChI=1S/C12H25NO3/c1-2-15-8-7-13-9-11(14)10-16-12-5-3-4-6-12/h11-14H,2-10H2,1H3
InChIKeyZHSNUBUPCPAUEY-UHFFFAOYSA-N
XLogP0.93
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyloxy-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63827682
2-[2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]ethoxy]acetamide
CID 106237886
1-(butylamino)-3-cycloheptyloxypropan-2-ol
CID 3055663
1-(2-cyclopentyloxyethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 63828739
1-(2-butoxyethoxy)-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63828907
1-cyclopentyloxy-3-[2-[ethyl(methyl)amino]ethylamino]propan-2-ol
CID 62636791
1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol
CID 54934973
1-(2-methoxyethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60632831
1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol
CID 60743809
1-[2-(cyclopropylmethoxy)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol
CID 114097862
1-cyclopentyloxy-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol
CID 114941871
3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]pentan-3-ol
CID 65111381

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol?
The IUPAC name of 1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol (CID 60909932) is 1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol?
The canonical SMILES for 1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol is CCOCCNCC(O)COC1CCCC1.
What is the InChIKey of 1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol?
The InChIKey is ZHSNUBUPCPAUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-2-15-8-7-13-9-11(14)10-16-12-5-3-4-6-12/h11-14H,2-10H2,1H3.
What are the key properties of 1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol?
1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol has a molecular weight of 231.34 g/mol, XLogP of 0.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol is sourced from PubChem (CID 60909932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).