3-(3,3-dimethylpentoxy)-3-methylbutan-1-amine

C12H27NO — CID 91197205

IUPAC3-(3,3-dimethylpentoxy)-3-methylbutan-1-amine
SMILESCCC(C)(C)CCOC(C)(C)CCN
InChIInChI=1S/C12H27NO/c1-6-11(2,3)8-10-14-12(4,5)7-9-13/h6-10,13H2,1-5H3
InChIKeyNDZWNVPUPPQPKL-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.96
Rot. Bonds7

About 3-(3,3-dimethylpentoxy)-3-methylbutan-1-amine

3-(3,3-dimethylpentoxy)-3-methylbutan-1-amine (PubChem CID 91197205) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 3-(3,3-dimethylpentoxy)-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-(3,3-dimethylpentoxy)-3-methylbutan-1-amine
PubChem CID91197205
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name3-(3,3-dimethylpentoxy)-3-methylbutan-1-amine
SMILESCCC(C)(C)CCOC(C)(C)CCN
InChIInChI=1S/C12H27NO/c1-6-11(2,3)8-10-14-12(4,5)7-9-13/h6-10,13H2,1-5H3
InChIKeyNDZWNVPUPPQPKL-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylpentoxy)-3-methylbutan-1-amine?
The IUPAC name of 3-(3,3-dimethylpentoxy)-3-methylbutan-1-amine (CID 91197205) is 3-(3,3-dimethylpentoxy)-3-methylbutan-1-amine.
What is the SMILES notation for 3-(3,3-dimethylpentoxy)-3-methylbutan-1-amine?
The canonical SMILES for 3-(3,3-dimethylpentoxy)-3-methylbutan-1-amine is CCC(C)(C)CCOC(C)(C)CCN.
What is the InChIKey of 3-(3,3-dimethylpentoxy)-3-methylbutan-1-amine?
The InChIKey is NDZWNVPUPPQPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-11(2,3)8-10-14-12(4,5)7-9-13/h6-10,13H2,1-5H3.
What are the key properties of 3-(3,3-dimethylpentoxy)-3-methylbutan-1-amine?
3-(3,3-dimethylpentoxy)-3-methylbutan-1-amine has a molecular weight of 201.35 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylpentoxy)-3-methylbutan-1-amine is sourced from PubChem (CID 91197205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).