1-(2,2-dimethyloxan-4-yl)-N,2-dimethylpropan-1-amine

C12H25NO — CID 79298060

IUPAC1-(2,2-dimethyloxan-4-yl)-N,2-dimethylpropan-1-amine
SMILESCNC(C(C)C)C1CCOC(C)(C)C1
InChIInChI=1S/C12H25NO/c1-9(2)11(13-5)10-6-7-14-12(3,4)8-10/h9-11,13H,6-8H2,1-5H3
InChIKeyGUTLVRPJJDAFIN-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds3

About 1-(2,2-dimethyloxan-4-yl)-N,2-dimethylpropan-1-amine

1-(2,2-dimethyloxan-4-yl)-N,2-dimethylpropan-1-amine (PubChem CID 79298060) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(2,2-dimethyloxan-4-yl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethyloxan-4-yl)-N,2-dimethylpropan-1-amine
PubChem CID79298060
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(2,2-dimethyloxan-4-yl)-N,2-dimethylpropan-1-amine
SMILESCNC(C(C)C)C1CCOC(C)(C)C1
InChIInChI=1S/C12H25NO/c1-9(2)11(13-5)10-6-7-14-12(3,4)8-10/h9-11,13H,6-8H2,1-5H3
InChIKeyGUTLVRPJJDAFIN-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyloxan-4-yl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-(2,2-dimethyloxan-4-yl)-N,2-dimethylpropan-1-amine (CID 79298060) is 1-(2,2-dimethyloxan-4-yl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(2,2-dimethyloxan-4-yl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(2,2-dimethyloxan-4-yl)-N,2-dimethylpropan-1-amine is CNC(C(C)C)C1CCOC(C)(C)C1.
What is the InChIKey of 1-(2,2-dimethyloxan-4-yl)-N,2-dimethylpropan-1-amine?
The InChIKey is GUTLVRPJJDAFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-9(2)11(13-5)10-6-7-14-12(3,4)8-10/h9-11,13H,6-8H2,1-5H3.
What are the key properties of 1-(2,2-dimethyloxan-4-yl)-N,2-dimethylpropan-1-amine?
1-(2,2-dimethyloxan-4-yl)-N,2-dimethylpropan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyloxan-4-yl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 79298060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).