2,2-diethyl-N-[(6-methyl-2-pyridinyl)methyl]oxan-4-amine

C16H26N2O — CID 83032839

IUPAC2,2-diethyl-N-[(6-methyl-2-pyridinyl)methyl]oxan-4-amine
SMILESCCC1(CC)CC(NCc2cccc(C)n2)CCO1
InChIInChI=1S/C16H26N2O/c1-4-16(5-2)11-14(9-10-19-16)17-12-15-8-6-7-13(3)18-15/h6-8,14,17H,4-5,9-12H2,1-3H3
InChIKeyCVPIUNWDOLQEER-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.22
Rot. Bonds5

About 2,2-diethyl-N-[(6-methyl-2-pyridinyl)methyl]oxan-4-amine

2,2-diethyl-N-[(6-methyl-2-pyridinyl)methyl]oxan-4-amine (PubChem CID 83032839) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2,2-diethyl-N-[(6-methyl-2-pyridinyl)methyl]oxan-4-amine.

Molecular Properties

Compound Name2,2-diethyl-N-[(6-methyl-2-pyridinyl)methyl]oxan-4-amine
PubChem CID83032839
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2,2-diethyl-N-[(6-methyl-2-pyridinyl)methyl]oxan-4-amine
SMILESCCC1(CC)CC(NCc2cccc(C)n2)CCO1
InChIInChI=1S/C16H26N2O/c1-4-16(5-2)11-14(9-10-19-16)17-12-15-8-6-7-13(3)18-15/h6-8,14,17H,4-5,9-12H2,1-3H3
InChIKeyCVPIUNWDOLQEER-UHFFFAOYSA-N
XLogP3.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-[(6-methyl-2-pyridinyl)methyl]oxan-4-amine?
The IUPAC name of 2,2-diethyl-N-[(6-methyl-2-pyridinyl)methyl]oxan-4-amine (CID 83032839) is 2,2-diethyl-N-[(6-methyl-2-pyridinyl)methyl]oxan-4-amine.
What is the SMILES notation for 2,2-diethyl-N-[(6-methyl-2-pyridinyl)methyl]oxan-4-amine?
The canonical SMILES for 2,2-diethyl-N-[(6-methyl-2-pyridinyl)methyl]oxan-4-amine is CCC1(CC)CC(NCc2cccc(C)n2)CCO1.
What is the InChIKey of 2,2-diethyl-N-[(6-methyl-2-pyridinyl)methyl]oxan-4-amine?
The InChIKey is CVPIUNWDOLQEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-16(5-2)11-14(9-10-19-16)17-12-15-8-6-7-13(3)18-15/h6-8,14,17H,4-5,9-12H2,1-3H3.
What are the key properties of 2,2-diethyl-N-[(6-methyl-2-pyridinyl)methyl]oxan-4-amine?
2,2-diethyl-N-[(6-methyl-2-pyridinyl)methyl]oxan-4-amine has a molecular weight of 262.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-[(6-methyl-2-pyridinyl)methyl]oxan-4-amine is sourced from PubChem (CID 83032839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).