1-(2-ethoxyethoxy)-3-[(1-methylcyclopentyl)methylamino]propan-2-ol

C14H29NO3 — CID 55260829

IUPAC1-(2-ethoxyethoxy)-3-[(1-methylcyclopentyl)methylamino]propan-2-ol
SMILESCCOCCOCC(O)CNCC1(C)CCCC1
InChIInChI=1S/C14H29NO3/c1-3-17-8-9-18-11-13(16)10-15-12-14(2)6-4-5-7-14/h13,15-16H,3-12H2,1-2H3
InChIKeyWTXKHHGBGPMKFN-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.57
Rot. Bonds10

About 1-(2-ethoxyethoxy)-3-[(1-methylcyclopentyl)methylamino]propan-2-ol

1-(2-ethoxyethoxy)-3-[(1-methylcyclopentyl)methylamino]propan-2-ol (PubChem CID 55260829) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-3-[(1-methylcyclopentyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)-3-[(1-methylcyclopentyl)methylamino]propan-2-ol
PubChem CID55260829
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name1-(2-ethoxyethoxy)-3-[(1-methylcyclopentyl)methylamino]propan-2-ol
SMILESCCOCCOCC(O)CNCC1(C)CCCC1
InChIInChI=1S/C14H29NO3/c1-3-17-8-9-18-11-13(16)10-15-12-14(2)6-4-5-7-14/h13,15-16H,3-12H2,1-2H3
InChIKeyWTXKHHGBGPMKFN-UHFFFAOYSA-N
XLogP1.57
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.57
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)-3-[(1-methylcyclopentyl)methylamino]propan-2-ol?
The IUPAC name of 1-(2-ethoxyethoxy)-3-[(1-methylcyclopentyl)methylamino]propan-2-ol (CID 55260829) is 1-(2-ethoxyethoxy)-3-[(1-methylcyclopentyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(2-ethoxyethoxy)-3-[(1-methylcyclopentyl)methylamino]propan-2-ol?
The canonical SMILES for 1-(2-ethoxyethoxy)-3-[(1-methylcyclopentyl)methylamino]propan-2-ol is CCOCCOCC(O)CNCC1(C)CCCC1.
What is the InChIKey of 1-(2-ethoxyethoxy)-3-[(1-methylcyclopentyl)methylamino]propan-2-ol?
The InChIKey is WTXKHHGBGPMKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-3-17-8-9-18-11-13(16)10-15-12-14(2)6-4-5-7-14/h13,15-16H,3-12H2,1-2H3.
What are the key properties of 1-(2-ethoxyethoxy)-3-[(1-methylcyclopentyl)methylamino]propan-2-ol?
1-(2-ethoxyethoxy)-3-[(1-methylcyclopentyl)methylamino]propan-2-ol has a molecular weight of 259.39 g/mol, XLogP of 1.57, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)-3-[(1-methylcyclopentyl)methylamino]propan-2-ol is sourced from PubChem (CID 55260829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).