2-ethoxy-N,2-diethyl-1-(5-methyl-3-pyridinyl)butan-1-amine

C16H28N2O — CID 116760231

IUPAC2-ethoxy-N,2-diethyl-1-(5-methyl-3-pyridinyl)butan-1-amine
SMILESCCNC(c1cncc(C)c1)C(CC)(CC)OCC
InChIInChI=1S/C16H28N2O/c1-6-16(7-2,19-9-4)15(18-8-3)14-10-13(5)11-17-12-14/h10-12,15,18H,6-9H2,1-5H3
InChIKeyYKHAPNUPLYJALX-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.64
Rot. Bonds8

About 2-ethoxy-N,2-diethyl-1-(5-methyl-3-pyridinyl)butan-1-amine

2-ethoxy-N,2-diethyl-1-(5-methyl-3-pyridinyl)butan-1-amine (PubChem CID 116760231) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-ethoxy-N,2-diethyl-1-(5-methyl-3-pyridinyl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N,2-diethyl-1-(5-methyl-3-pyridinyl)butan-1-amine
PubChem CID116760231
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-ethoxy-N,2-diethyl-1-(5-methyl-3-pyridinyl)butan-1-amine
SMILESCCNC(c1cncc(C)c1)C(CC)(CC)OCC
InChIInChI=1S/C16H28N2O/c1-6-16(7-2,19-9-4)15(18-8-3)14-10-13(5)11-17-12-14/h10-12,15,18H,6-9H2,1-5H3
InChIKeyYKHAPNUPLYJALX-UHFFFAOYSA-N
XLogP3.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N,2-diethyl-1-(5-methoxy-3-pyridinyl)butan-1-amine
CID 116760136
N-ethyl-2,2,2-trifluoro-1-(5-methyl-3-pyridinyl)ethanamine
CID 105022970
2-ethyl-2-methoxy-1-(5-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 116761495
1-(4-chlorophenyl)-2-ethoxy-N,2-diethylbutan-1-amine
CID 116760163
N-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105023254
2-ethoxy-N-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-amine
CID 116721522
2-cyclopropyl-N-ethyl-1-(5-methyl-3-pyridinyl)propan-1-amine
CID 105022949
N-ethyl-1-(5-methyl-3-pyridinyl)-2-propoxyethanamine
CID 115374427
2-N,2-N-diethyl-1-N,2-dimethyl-1-(5-methyl-3-pyridinyl)propane-1,2-diamine
CID 115374759
N-[(1-methylcyclopropyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 115374920
N-ethyl-2-ethylsulfanyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374602
N-[(5-methyl-3-pyridinyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 105155164

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N,2-diethyl-1-(5-methyl-3-pyridinyl)butan-1-amine?
The IUPAC name of 2-ethoxy-N,2-diethyl-1-(5-methyl-3-pyridinyl)butan-1-amine (CID 116760231) is 2-ethoxy-N,2-diethyl-1-(5-methyl-3-pyridinyl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-N,2-diethyl-1-(5-methyl-3-pyridinyl)butan-1-amine?
The canonical SMILES for 2-ethoxy-N,2-diethyl-1-(5-methyl-3-pyridinyl)butan-1-amine is CCNC(c1cncc(C)c1)C(CC)(CC)OCC.
What is the InChIKey of 2-ethoxy-N,2-diethyl-1-(5-methyl-3-pyridinyl)butan-1-amine?
The InChIKey is YKHAPNUPLYJALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-16(7-2,19-9-4)15(18-8-3)14-10-13(5)11-17-12-14/h10-12,15,18H,6-9H2,1-5H3.
What are the key properties of 2-ethoxy-N,2-diethyl-1-(5-methyl-3-pyridinyl)butan-1-amine?
2-ethoxy-N,2-diethyl-1-(5-methyl-3-pyridinyl)butan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N,2-diethyl-1-(5-methyl-3-pyridinyl)butan-1-amine is sourced from PubChem (CID 116760231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).