2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine

C12H25NO — CID 79933888

IUPAC2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
SMILESCC(C)C(N)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H25NO/c1-8(2)10(13)9-7-11(3,4)14-12(9,5)6/h8-10H,7,13H2,1-6H3
InChIKeyOQCWOUXIYRFQCC-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.56
Rot. Bonds2

About 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine

2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine (PubChem CID 79933888) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
PubChem CID79933888
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
SMILESCC(C)C(N)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C12H25NO/c1-8(2)10(13)9-7-11(3,4)14-12(9,5)6/h8-10H,7,13H2,1-6H3
InChIKeyOQCWOUXIYRFQCC-UHFFFAOYSA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
The IUPAC name of 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine (CID 79933888) is 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
The canonical SMILES for 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine is CC(C)C(N)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
The InChIKey is OQCWOUXIYRFQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-8(2)10(13)9-7-11(3,4)14-12(9,5)6/h8-10H,7,13H2,1-6H3.
What are the key properties of 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine is sourced from PubChem (CID 79933888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).