5-methoxy-5-methyl-1-(oxolan-3-yl)hexan-2-amine

C12H25NO2 — CID 103036023

IUPAC5-methoxy-5-methyl-1-(oxolan-3-yl)hexan-2-amine
SMILESCOC(C)(C)CCC(N)CC1CCOC1
InChIInChI=1S/C12H25NO2/c1-12(2,14-3)6-4-11(13)8-10-5-7-15-9-10/h10-11H,4-9,13H2,1-3H3
InChIKeyMPNIETCIWLGWRL-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.95
Rot. Bonds6

About 5-methoxy-5-methyl-1-(oxolan-3-yl)hexan-2-amine

5-methoxy-5-methyl-1-(oxolan-3-yl)hexan-2-amine (PubChem CID 103036023) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 5-methoxy-5-methyl-1-(oxolan-3-yl)hexan-2-amine.

Molecular Properties

Compound Name5-methoxy-5-methyl-1-(oxolan-3-yl)hexan-2-amine
PubChem CID103036023
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name5-methoxy-5-methyl-1-(oxolan-3-yl)hexan-2-amine
SMILESCOC(C)(C)CCC(N)CC1CCOC1
InChIInChI=1S/C12H25NO2/c1-12(2,14-3)6-4-11(13)8-10-5-7-15-9-10/h10-11H,4-9,13H2,1-3H3
InChIKeyMPNIETCIWLGWRL-UHFFFAOYSA-N
XLogP1.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-5-methyl-1-(oxolan-3-yl)hexan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-methyl-1-(oxolan-3-yl)hexan-2-amine?
The IUPAC name of 5-methoxy-5-methyl-1-(oxolan-3-yl)hexan-2-amine (CID 103036023) is 5-methoxy-5-methyl-1-(oxolan-3-yl)hexan-2-amine.
What is the SMILES notation for 5-methoxy-5-methyl-1-(oxolan-3-yl)hexan-2-amine?
The canonical SMILES for 5-methoxy-5-methyl-1-(oxolan-3-yl)hexan-2-amine is COC(C)(C)CCC(N)CC1CCOC1.
What is the InChIKey of 5-methoxy-5-methyl-1-(oxolan-3-yl)hexan-2-amine?
The InChIKey is MPNIETCIWLGWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2,14-3)6-4-11(13)8-10-5-7-15-9-10/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 5-methoxy-5-methyl-1-(oxolan-3-yl)hexan-2-amine?
5-methoxy-5-methyl-1-(oxolan-3-yl)hexan-2-amine has a molecular weight of 215.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methyl-1-(oxolan-3-yl)hexan-2-amine is sourced from PubChem (CID 103036023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).