4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexan-1-ol

C13H27NO2 — CID 43147063

IUPAC4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexan-1-ol
SMILESCOC(C)(C)CC(C)NC1CCC(O)CC1
InChIInChI=1S/C13H27NO2/c1-10(9-13(2,3)16-4)14-11-5-7-12(15)8-6-11/h10-12,14-15H,5-9H2,1-4H3
InChIKeyRMLMDPHYBXEJPE-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.08
Rot. Bonds5

About 4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexan-1-ol

4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexan-1-ol (PubChem CID 43147063) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexan-1-ol
PubChem CID43147063
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexan-1-ol
SMILESCOC(C)(C)CC(C)NC1CCC(O)CC1
InChIInChI=1S/C13H27NO2/c1-10(9-13(2,3)16-4)14-11-5-7-12(15)8-6-11/h10-12,14-15H,5-9H2,1-4H3
InChIKeyRMLMDPHYBXEJPE-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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexan-1-ol (CID 43147063) is 4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexan-1-ol is COC(C)(C)CC(C)NC1CCC(O)CC1.
What is the InChIKey of 4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexan-1-ol?
The InChIKey is RMLMDPHYBXEJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-10(9-13(2,3)16-4)14-11-5-7-12(15)8-6-11/h10-12,14-15H,5-9H2,1-4H3.
What are the key properties of 4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexan-1-ol?
4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexan-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 4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 43147063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).