1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentan-1-ol

C13H27NO2 — CID 65108679

IUPAC1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(C)CCOCCNCC1(O)CCCC1
InChIInChI=1S/C13H27NO2/c1-12(2)5-9-16-10-8-14-11-13(15)6-3-4-7-13/h12,14-15H,3-11H2,1-2H3
InChIKeyUFSPPGMIRZOIFJ-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.94
Rot. Bonds8

About 1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentan-1-ol

1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentan-1-ol (PubChem CID 65108679) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentan-1-ol
PubChem CID65108679
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentan-1-ol
SMILESCC(C)CCOCCNCC1(O)CCCC1
InChIInChI=1S/C13H27NO2/c1-12(2)5-9-16-10-8-14-11-13(15)6-3-4-7-13/h12,14-15H,3-11H2,1-2H3
InChIKeyUFSPPGMIRZOIFJ-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.94
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-(3-methylbutoxy)ethylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentan-1-ol (CID 65108679) is 1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentan-1-ol is CC(C)CCOCCNCC1(O)CCCC1.
What is the InChIKey of 1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentan-1-ol?
The InChIKey is UFSPPGMIRZOIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-12(2)5-9-16-10-8-14-11-13(15)6-3-4-7-13/h12,14-15H,3-11H2,1-2H3.
What are the key properties of 1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentan-1-ol?
1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65108679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).