3-(3,3-dimethylbutan-2-yloxy)-N,N,2-trimethylpentan-2-amine

C14H31NO — CID 123710343

IUPAC3-(3,3-dimethylbutan-2-yloxy)-N,N,2-trimethylpentan-2-amine
SMILESCCC(OC(C)C(C)(C)C)C(C)(C)N(C)C
InChIInChI=1S/C14H31NO/c1-10-12(14(6,7)15(8)9)16-11(2)13(3,4)5/h11-12H,10H2,1-9H3
InChIKeyRFVGGLXMBQTWFE-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.56
Rot. Bonds5

About 3-(3,3-dimethylbutan-2-yloxy)-N,N,2-trimethylpentan-2-amine

3-(3,3-dimethylbutan-2-yloxy)-N,N,2-trimethylpentan-2-amine (PubChem CID 123710343) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 3-(3,3-dimethylbutan-2-yloxy)-N,N,2-trimethylpentan-2-amine.

Molecular Properties

Compound Name3-(3,3-dimethylbutan-2-yloxy)-N,N,2-trimethylpentan-2-amine
PubChem CID123710343
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name3-(3,3-dimethylbutan-2-yloxy)-N,N,2-trimethylpentan-2-amine
SMILESCCC(OC(C)C(C)(C)C)C(C)(C)N(C)C
InChIInChI=1S/C14H31NO/c1-10-12(14(6,7)15(8)9)16-11(2)13(3,4)5/h11-12H,10H2,1-9H3
InChIKeyRFVGGLXMBQTWFE-UHFFFAOYSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutan-2-yloxy)-N,N,2-trimethylpentan-2-amine?
The IUPAC name of 3-(3,3-dimethylbutan-2-yloxy)-N,N,2-trimethylpentan-2-amine (CID 123710343) is 3-(3,3-dimethylbutan-2-yloxy)-N,N,2-trimethylpentan-2-amine.
What is the SMILES notation for 3-(3,3-dimethylbutan-2-yloxy)-N,N,2-trimethylpentan-2-amine?
The canonical SMILES for 3-(3,3-dimethylbutan-2-yloxy)-N,N,2-trimethylpentan-2-amine is CCC(OC(C)C(C)(C)C)C(C)(C)N(C)C.
What is the InChIKey of 3-(3,3-dimethylbutan-2-yloxy)-N,N,2-trimethylpentan-2-amine?
The InChIKey is RFVGGLXMBQTWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-10-12(14(6,7)15(8)9)16-11(2)13(3,4)5/h11-12H,10H2,1-9H3.
What are the key properties of 3-(3,3-dimethylbutan-2-yloxy)-N,N,2-trimethylpentan-2-amine?
3-(3,3-dimethylbutan-2-yloxy)-N,N,2-trimethylpentan-2-amine has a molecular weight of 229.41 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutan-2-yloxy)-N,N,2-trimethylpentan-2-amine is sourced from PubChem (CID 123710343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).