2,2,5,5-tetramethyl-N-pentan-2-yloxolan-3-amine

C13H27NO — CID 79917041

IUPAC2,2,5,5-tetramethyl-N-pentan-2-yloxolan-3-amine
SMILESCCCC(C)NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H27NO/c1-7-8-10(2)14-11-9-12(3,4)15-13(11,5)6/h10-11,14H,7-9H2,1-6H3
InChIKeyRPZTWJFOKBYCGI-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.11
Rot. Bonds4

About 2,2,5,5-tetramethyl-N-pentan-2-yloxolan-3-amine

2,2,5,5-tetramethyl-N-pentan-2-yloxolan-3-amine (PubChem CID 79917041) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-pentan-2-yloxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-pentan-2-yloxolan-3-amine
PubChem CID79917041
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2,2,5,5-tetramethyl-N-pentan-2-yloxolan-3-amine
SMILESCCCC(C)NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H27NO/c1-7-8-10(2)14-11-9-12(3,4)15-13(11,5)6/h10-11,14H,7-9H2,1-6H3
InChIKeyRPZTWJFOKBYCGI-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-pentan-2-yloxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-pentan-2-yloxolan-3-amine (CID 79917041) is 2,2,5,5-tetramethyl-N-pentan-2-yloxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-pentan-2-yloxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-pentan-2-yloxolan-3-amine is CCCC(C)NC1CC(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-N-pentan-2-yloxolan-3-amine?
The InChIKey is RPZTWJFOKBYCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-7-8-10(2)14-11-9-12(3,4)15-13(11,5)6/h10-11,14H,7-9H2,1-6H3.
What are the key properties of 2,2,5,5-tetramethyl-N-pentan-2-yloxolan-3-amine?
2,2,5,5-tetramethyl-N-pentan-2-yloxolan-3-amine has a molecular weight of 213.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-pentan-2-yloxolan-3-amine is sourced from PubChem (CID 79917041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).