5-cyclobutyloxy-2-methyl-2-(propylamino)pentan-1-ol

C13H27NO2 — CID 64809285

IUPAC5-cyclobutyloxy-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCOC1CCC1
InChIInChI=1S/C13H27NO2/c1-3-9-14-13(2,11-15)8-5-10-16-12-6-4-7-12/h12,14-15H,3-11H2,1-2H3
InChIKeyVJMNSEGQUALEJH-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.09
Rot. Bonds9

About 5-cyclobutyloxy-2-methyl-2-(propylamino)pentan-1-ol

5-cyclobutyloxy-2-methyl-2-(propylamino)pentan-1-ol (PubChem CID 64809285) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 5-cyclobutyloxy-2-methyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name5-cyclobutyloxy-2-methyl-2-(propylamino)pentan-1-ol
PubChem CID64809285
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name5-cyclobutyloxy-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCOC1CCC1
InChIInChI=1S/C13H27NO2/c1-3-9-14-13(2,11-15)8-5-10-16-12-6-4-7-12/h12,14-15H,3-11H2,1-2H3
InChIKeyVJMNSEGQUALEJH-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.09
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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Related Compounds

5-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64808655
2-methyl-6-octoxy-2-(propylamino)hexan-1-ol
CID 64811651
6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol
CID 64811173
6-cycloheptyloxy-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64808927
2-ethyl-5-(3-methylcyclohexyl)oxy-2-(propylamino)pentan-1-ol
CID 106810257
2-(cyclopropylamino)-2-methyl-5-(4-methylcyclohexyl)oxypentan-1-ol
CID 64805072
2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol
CID 64802775
4-(2-ethylcyclohexyl)oxy-2-methyl-2-(propylamino)butan-1-ol
CID 64802334
6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 102968939
5-cyclohexyloxy-2-ethyl-2-(propylamino)pentanoic acid
CID 106806896
4-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64810748
2-methyl-2-(propylamino)-6-(3,3,3-trifluoropropoxy)hexan-1-ol
CID 82959384

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyloxy-2-methyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 5-cyclobutyloxy-2-methyl-2-(propylamino)pentan-1-ol (CID 64809285) is 5-cyclobutyloxy-2-methyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 5-cyclobutyloxy-2-methyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 5-cyclobutyloxy-2-methyl-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CCCOC1CCC1.
What is the InChIKey of 5-cyclobutyloxy-2-methyl-2-(propylamino)pentan-1-ol?
The InChIKey is VJMNSEGQUALEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-9-14-13(2,11-15)8-5-10-16-12-6-4-7-12/h12,14-15H,3-11H2,1-2H3.
What are the key properties of 5-cyclobutyloxy-2-methyl-2-(propylamino)pentan-1-ol?
5-cyclobutyloxy-2-methyl-2-(propylamino)pentan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 2.09, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyloxy-2-methyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64809285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).