3-(tert-butylamino)-3-(2-ethoxyethyl)cyclopentan-1-ol

C13H27NO2 — CID 155445401

IUPAC3-(tert-butylamino)-3-(2-ethoxyethyl)cyclopentan-1-ol
SMILESCCOCCC1(NC(C)(C)C)CCC(O)C1
InChIInChI=1S/C13H27NO2/c1-5-16-9-8-13(14-12(2,3)4)7-6-11(15)10-13/h11,14-15H,5-10H2,1-4H3
InChIKeyKVJYHKSLRLYLRM-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.08
Rot. Bonds5

About 3-(tert-butylamino)-3-(2-ethoxyethyl)cyclopentan-1-ol

3-(tert-butylamino)-3-(2-ethoxyethyl)cyclopentan-1-ol (PubChem CID 155445401) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-(tert-butylamino)-3-(2-ethoxyethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-(tert-butylamino)-3-(2-ethoxyethyl)cyclopentan-1-ol
PubChem CID155445401
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-(tert-butylamino)-3-(2-ethoxyethyl)cyclopentan-1-ol
SMILESCCOCCC1(NC(C)(C)C)CCC(O)C1
InChIInChI=1S/C13H27NO2/c1-5-16-9-8-13(14-12(2,3)4)7-6-11(15)10-13/h11,14-15H,5-10H2,1-4H3
InChIKeyKVJYHKSLRLYLRM-UHFFFAOYSA-N
XLogP2.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.08
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 3-(tert-butylamino)-3-(2-ethoxyethyl)cyclopentan-1-ol?
The IUPAC name of 3-(tert-butylamino)-3-(2-ethoxyethyl)cyclopentan-1-ol (CID 155445401) is 3-(tert-butylamino)-3-(2-ethoxyethyl)cyclopentan-1-ol.
What is the SMILES notation for 3-(tert-butylamino)-3-(2-ethoxyethyl)cyclopentan-1-ol?
The canonical SMILES for 3-(tert-butylamino)-3-(2-ethoxyethyl)cyclopentan-1-ol is CCOCCC1(NC(C)(C)C)CCC(O)C1.
What is the InChIKey of 3-(tert-butylamino)-3-(2-ethoxyethyl)cyclopentan-1-ol?
The InChIKey is KVJYHKSLRLYLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-16-9-8-13(14-12(2,3)4)7-6-11(15)10-13/h11,14-15H,5-10H2,1-4H3.
What are the key properties of 3-(tert-butylamino)-3-(2-ethoxyethyl)cyclopentan-1-ol?
3-(tert-butylamino)-3-(2-ethoxyethyl)cyclopentan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-3-(2-ethoxyethyl)cyclopentan-1-ol is sourced from PubChem (CID 155445401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).