1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylcyclohexan-1-ol

C11H23NO2 — CID 70375082

IUPAC1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylcyclohexan-1-ol
SMILESCC1CCCCC1(O)NC(C)(C)CO
InChIInChI=1S/C11H23NO2/c1-9-6-4-5-7-11(9,14)12-10(2,3)8-13/h9,12-14H,4-8H2,1-3H3
InChIKeyDYTYLTXYGCQGCS-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.25
Rot. Bonds3

About 1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylcyclohexan-1-ol

1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylcyclohexan-1-ol (PubChem CID 70375082) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylcyclohexan-1-ol
PubChem CID70375082
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylcyclohexan-1-ol
SMILESCC1CCCCC1(O)NC(C)(C)CO
InChIInChI=1S/C11H23NO2/c1-9-6-4-5-7-11(9,14)12-10(2,3)8-13/h9,12-14H,4-8H2,1-3H3
InChIKeyDYTYLTXYGCQGCS-UHFFFAOYSA-N
XLogP1.25
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylcyclohexan-1-ol?
The IUPAC name of 1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylcyclohexan-1-ol (CID 70375082) is 1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylcyclohexan-1-ol is CC1CCCCC1(O)NC(C)(C)CO.
What is the InChIKey of 1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylcyclohexan-1-ol?
The InChIKey is DYTYLTXYGCQGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9-6-4-5-7-11(9,14)12-10(2,3)8-13/h9,12-14H,4-8H2,1-3H3.
What are the key properties of 1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylcyclohexan-1-ol?
1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylcyclohexan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylcyclohexan-1-ol is sourced from PubChem (CID 70375082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).