1-[(2-propan-2-yloxyethylamino)methyl]cyclopentan-1-ol

C11H23NO2 — CID 65109101

IUPAC1-[(2-propan-2-yloxyethylamino)methyl]cyclopentan-1-ol
SMILESCC(C)OCCNCC1(O)CCCC1
InChIInChI=1S/C11H23NO2/c1-10(2)14-8-7-12-9-11(13)5-3-4-6-11/h10,12-13H,3-9H2,1-2H3
InChIKeyWXFUVSNIPOLZID-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.31
Rot. Bonds6

About 1-[(2-propan-2-yloxyethylamino)methyl]cyclopentan-1-ol

1-[(2-propan-2-yloxyethylamino)methyl]cyclopentan-1-ol (PubChem CID 65109101) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-[(2-propan-2-yloxyethylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2-propan-2-yloxyethylamino)methyl]cyclopentan-1-ol
PubChem CID65109101
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-[(2-propan-2-yloxyethylamino)methyl]cyclopentan-1-ol
SMILESCC(C)OCCNCC1(O)CCCC1
InChIInChI=1S/C11H23NO2/c1-10(2)14-8-7-12-9-11(13)5-3-4-6-11/h10,12-13H,3-9H2,1-2H3
InChIKeyWXFUVSNIPOLZID-UHFFFAOYSA-N
XLogP1.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-propan-2-yloxyethylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(2-propan-2-yloxyethylamino)methyl]cyclopentan-1-ol (CID 65109101) is 1-[(2-propan-2-yloxyethylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(2-propan-2-yloxyethylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(2-propan-2-yloxyethylamino)methyl]cyclopentan-1-ol is CC(C)OCCNCC1(O)CCCC1.
What is the InChIKey of 1-[(2-propan-2-yloxyethylamino)methyl]cyclopentan-1-ol?
The InChIKey is WXFUVSNIPOLZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(2)14-8-7-12-9-11(13)5-3-4-6-11/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 1-[(2-propan-2-yloxyethylamino)methyl]cyclopentan-1-ol?
1-[(2-propan-2-yloxyethylamino)methyl]cyclopentan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propan-2-yloxyethylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65109101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).