5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-amine

C12H27NO — CID 163676064

IUPAC5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-amine
SMILESCC(N)CCCOC(C)(C)C(C)(C)C
InChIInChI=1S/C12H27NO/c1-10(13)8-7-9-14-12(5,6)11(2,3)4/h10H,7-9,13H2,1-6H3
InChIKeyJGUSQPDFLLNSPO-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.96
Rot. Bonds5

About 5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-amine

5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-amine (PubChem CID 163676064) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-amine.

Molecular Properties

Compound Name5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-amine
PubChem CID163676064
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-amine
SMILESCC(N)CCCOC(C)(C)C(C)(C)C
InChIInChI=1S/C12H27NO/c1-10(13)8-7-9-14-12(5,6)11(2,3)4/h10H,7-9,13H2,1-6H3
InChIKeyJGUSQPDFLLNSPO-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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 5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-amine?
The IUPAC name of 5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-amine (CID 163676064) is 5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-amine.
What is the SMILES notation for 5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-amine?
The canonical SMILES for 5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-amine is CC(N)CCCOC(C)(C)C(C)(C)C.
What is the InChIKey of 5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-amine?
The InChIKey is JGUSQPDFLLNSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-10(13)8-7-9-14-12(5,6)11(2,3)4/h10H,7-9,13H2,1-6H3.
What are the key properties of 5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-amine?
5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-amine has a molecular weight of 201.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,3-trimethylbutan-2-yloxy)pentan-2-amine is sourced from PubChem (CID 163676064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).