2-amino-6-cyclobutyloxy-2-methylhexan-1-ol

C11H23NO2 — CID 64811377

IUPAC2-amino-6-cyclobutyloxy-2-methylhexan-1-ol
SMILESCC(N)(CO)CCCCOC1CCC1
InChIInChI=1S/C11H23NO2/c1-11(12,9-13)7-2-3-8-14-10-5-4-6-10/h10,13H,2-9,12H2,1H3
InChIKeyNDIWHVDORSUKRP-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.44
Rot. Bonds7

About 2-amino-6-cyclobutyloxy-2-methylhexan-1-ol

2-amino-6-cyclobutyloxy-2-methylhexan-1-ol (PubChem CID 64811377) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-amino-6-cyclobutyloxy-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-amino-6-cyclobutyloxy-2-methylhexan-1-ol
PubChem CID64811377
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-amino-6-cyclobutyloxy-2-methylhexan-1-ol
SMILESCC(N)(CO)CCCCOC1CCC1
InChIInChI=1S/C11H23NO2/c1-11(12,9-13)7-2-3-8-14-10-5-4-6-10/h10,13H,2-9,12H2,1H3
InChIKeyNDIWHVDORSUKRP-UHFFFAOYSA-N
XLogP1.44
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.44
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 2-amino-6-cyclobutyloxy-2-methylhexan-1-ol?
The IUPAC name of 2-amino-6-cyclobutyloxy-2-methylhexan-1-ol (CID 64811377) is 2-amino-6-cyclobutyloxy-2-methylhexan-1-ol.
What is the SMILES notation for 2-amino-6-cyclobutyloxy-2-methylhexan-1-ol?
The canonical SMILES for 2-amino-6-cyclobutyloxy-2-methylhexan-1-ol is CC(N)(CO)CCCCOC1CCC1.
What is the InChIKey of 2-amino-6-cyclobutyloxy-2-methylhexan-1-ol?
The InChIKey is NDIWHVDORSUKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-11(12,9-13)7-2-3-8-14-10-5-4-6-10/h10,13H,2-9,12H2,1H3.
What are the key properties of 2-amino-6-cyclobutyloxy-2-methylhexan-1-ol?
2-amino-6-cyclobutyloxy-2-methylhexan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-cyclobutyloxy-2-methylhexan-1-ol is sourced from PubChem (CID 64811377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).