2-(2-methylbutan-2-yloxy)-N-propylpentan-1-amine

C13H29NO — CID 83045359

IUPAC2-(2-methylbutan-2-yloxy)-N-propylpentan-1-amine
SMILESCCCNCC(CCC)OC(C)(C)CC
InChIInChI=1S/C13H29NO/c1-6-9-12(11-14-10-7-2)15-13(4,5)8-3/h12,14H,6-11H2,1-5H3
InChIKeyCVKQAJPSUKYVGL-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.36
Rot. Bonds9

About 2-(2-methylbutan-2-yloxy)-N-propylpentan-1-amine

2-(2-methylbutan-2-yloxy)-N-propylpentan-1-amine (PubChem CID 83045359) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yloxy)-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-(2-methylbutan-2-yloxy)-N-propylpentan-1-amine
PubChem CID83045359
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name2-(2-methylbutan-2-yloxy)-N-propylpentan-1-amine
SMILESCCCNCC(CCC)OC(C)(C)CC
InChIInChI=1S/C13H29NO/c1-6-9-12(11-14-10-7-2)15-13(4,5)8-3/h12,14H,6-11H2,1-5H3
InChIKeyCVKQAJPSUKYVGL-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yloxy)-N-propylpentan-1-amine?
The IUPAC name of 2-(2-methylbutan-2-yloxy)-N-propylpentan-1-amine (CID 83045359) is 2-(2-methylbutan-2-yloxy)-N-propylpentan-1-amine.
What is the SMILES notation for 2-(2-methylbutan-2-yloxy)-N-propylpentan-1-amine?
The canonical SMILES for 2-(2-methylbutan-2-yloxy)-N-propylpentan-1-amine is CCCNCC(CCC)OC(C)(C)CC.
What is the InChIKey of 2-(2-methylbutan-2-yloxy)-N-propylpentan-1-amine?
The InChIKey is CVKQAJPSUKYVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-6-9-12(11-14-10-7-2)15-13(4,5)8-3/h12,14H,6-11H2,1-5H3.
What are the key properties of 2-(2-methylbutan-2-yloxy)-N-propylpentan-1-amine?
2-(2-methylbutan-2-yloxy)-N-propylpentan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yloxy)-N-propylpentan-1-amine is sourced from PubChem (CID 83045359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).