2-ethoxy-3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine

C16H28N2O2 — CID 116725313

IUPAC2-ethoxy-3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine
SMILESCCOC(C(N)c1cncc(OC(C)C)c1)C(C)(C)C
InChIInChI=1S/C16H28N2O2/c1-7-19-15(16(4,5)6)14(17)12-8-13(10-18-9-12)20-11(2)3/h8-11,14-15H,7,17H2,1-6H3
InChIKeyNTCSDJNQQPIWJH-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.32
Rot. Bonds6

About 2-ethoxy-3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine

2-ethoxy-3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine (PubChem CID 116725313) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-ethoxy-3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine
PubChem CID116725313
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-ethoxy-3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine
SMILESCCOC(C(N)c1cncc(OC(C)C)c1)C(C)(C)C
InChIInChI=1S/C16H28N2O2/c1-7-19-15(16(4,5)6)14(17)12-8-13(10-18-9-12)20-11(2)3/h8-11,14-15H,7,17H2,1-6H3
InChIKeyNTCSDJNQQPIWJH-UHFFFAOYSA-N
XLogP3.32
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-3,3-dimethyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 116725346
2-methoxy-1-(5-propan-2-yloxy-3-pyridinyl)pentan-1-amine
CID 116718601
2-ethoxy-3-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine
CID 116720905
2-ethoxy-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-ol
CID 116752280
[3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butyl]hydrazine
CID 105220430
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine
CID 105176094
1-hydrazinyl-N,N,2-trimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-2-amine
CID 105240684
2-ethoxy-1-(5-methoxy-3-pyridinyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116726056
2-ethoxy-N-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)pentan-1-amine
CID 116718083
3-(2,2-difluoroethoxy)-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine
CID 103148933
2-cyclohexyl-2-methoxy-1-(5-propan-2-yloxy-3-pyridinyl)ethanamine
CID 116771301
3-cyclopentyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-amine
CID 105027507

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine?
The IUPAC name of 2-ethoxy-3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine (CID 116725313) is 2-ethoxy-3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine?
The canonical SMILES for 2-ethoxy-3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine is CCOC(C(N)c1cncc(OC(C)C)c1)C(C)(C)C.
What is the InChIKey of 2-ethoxy-3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine?
The InChIKey is NTCSDJNQQPIWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-7-19-15(16(4,5)6)14(17)12-8-13(10-18-9-12)20-11(2)3/h8-11,14-15H,7,17H2,1-6H3.
What are the key properties of 2-ethoxy-3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine?
2-ethoxy-3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine has a molecular weight of 280.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,3-dimethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-amine is sourced from PubChem (CID 116725313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).