2,2,3,3-tetramethyl-N-propyloxan-4-amine

C12H25NO — CID 67818758

IUPAC2,2,3,3-tetramethyl-N-propyloxan-4-amine
SMILESCCCNC1CCOC(C)(C)C1(C)C
InChIInChI=1S/C12H25NO/c1-6-8-13-10-7-9-14-12(4,5)11(10,2)3/h10,13H,6-9H2,1-5H3
InChIKeyWILMHMLOQANCMS-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds3

About 2,2,3,3-tetramethyl-N-propyloxan-4-amine

2,2,3,3-tetramethyl-N-propyloxan-4-amine (PubChem CID 67818758) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-propyloxan-4-amine.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-propyloxan-4-amine
PubChem CID67818758
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2,2,3,3-tetramethyl-N-propyloxan-4-amine
SMILESCCCNC1CCOC(C)(C)C1(C)C
InChIInChI=1S/C12H25NO/c1-6-8-13-10-7-9-14-12(4,5)11(10,2)3/h10,13H,6-9H2,1-5H3
InChIKeyWILMHMLOQANCMS-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-propyloxan-4-amine?
The IUPAC name of 2,2,3,3-tetramethyl-N-propyloxan-4-amine (CID 67818758) is 2,2,3,3-tetramethyl-N-propyloxan-4-amine.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-propyloxan-4-amine?
The canonical SMILES for 2,2,3,3-tetramethyl-N-propyloxan-4-amine is CCCNC1CCOC(C)(C)C1(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-N-propyloxan-4-amine?
The InChIKey is WILMHMLOQANCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-8-13-10-7-9-14-12(4,5)11(10,2)3/h10,13H,6-9H2,1-5H3.
What are the key properties of 2,2,3,3-tetramethyl-N-propyloxan-4-amine?
2,2,3,3-tetramethyl-N-propyloxan-4-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-propyloxan-4-amine is sourced from PubChem (CID 67818758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).