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

C16H28N2O2 — CID 116760136

IUPAC2-ethoxy-N,2-diethyl-1-(5-methoxy-3-pyridinyl)butan-1-amine
SMILESCCNC(c1cncc(OC)c1)C(CC)(CC)OCC
InChIInChI=1S/C16H28N2O2/c1-6-16(7-2,20-9-4)15(18-8-3)13-10-14(19-5)12-17-11-13/h10-12,15,18H,6-9H2,1-5H3
InChIKeyKKSJZCGSRAPRFQ-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.34
Rot. Bonds9

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

2-ethoxy-N,2-diethyl-1-(5-methoxy-3-pyridinyl)butan-1-amine (PubChem CID 116760136) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-ethoxy-N,2-diethyl-1-(5-methoxy-3-pyridinyl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N,2-diethyl-1-(5-methoxy-3-pyridinyl)butan-1-amine
PubChem CID116760136
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-ethoxy-N,2-diethyl-1-(5-methoxy-3-pyridinyl)butan-1-amine
SMILESCCNC(c1cncc(OC)c1)C(CC)(CC)OCC
InChIInChI=1S/C16H28N2O2/c1-6-16(7-2,20-9-4)15(18-8-3)13-10-14(19-5)12-17-11-13/h10-12,15,18H,6-9H2,1-5H3
InChIKeyKKSJZCGSRAPRFQ-UHFFFAOYSA-N
XLogP3.34
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N,2-diethyl-1-(5-methyl-3-pyridinyl)butan-1-amine
CID 116760231
1-(5-methoxy-3-pyridinyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105026226
2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-amine
CID 116758508
N-ethyl-3,3,3-trifluoro-1-(5-methoxy-3-pyridinyl)-2-(trifluoromethyl)propan-1-amine
CID 103312224
2-ethoxy-2-ethyl-1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 116760343
1-(4-chlorophenyl)-2-ethoxy-N,2-diethylbutan-1-amine
CID 116760163
2,2,2-trifluoro-1-(5-methoxy-3-pyridinyl)-N-methylethanamine
CID 105026191
1-(5-methoxy-3-pyridinyl)-2,2-dimethylbutan-1-amine
CID 105026104
N-[(5-methoxy-3-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 105025866
2-ethoxy-1-(5-methoxy-3-pyridinyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116726056
N-[(5-methoxy-3-pyridinyl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 105026071
N-[(2,6-difluoro-3-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105025947

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N,2-diethyl-1-(5-methoxy-3-pyridinyl)butan-1-amine?
The IUPAC name of 2-ethoxy-N,2-diethyl-1-(5-methoxy-3-pyridinyl)butan-1-amine (CID 116760136) is 2-ethoxy-N,2-diethyl-1-(5-methoxy-3-pyridinyl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-N,2-diethyl-1-(5-methoxy-3-pyridinyl)butan-1-amine?
The canonical SMILES for 2-ethoxy-N,2-diethyl-1-(5-methoxy-3-pyridinyl)butan-1-amine is CCNC(c1cncc(OC)c1)C(CC)(CC)OCC.
What is the InChIKey of 2-ethoxy-N,2-diethyl-1-(5-methoxy-3-pyridinyl)butan-1-amine?
The InChIKey is KKSJZCGSRAPRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-6-16(7-2,20-9-4)15(18-8-3)13-10-14(19-5)12-17-11-13/h10-12,15,18H,6-9H2,1-5H3.
What are the key properties of 2-ethoxy-N,2-diethyl-1-(5-methoxy-3-pyridinyl)butan-1-amine?
2-ethoxy-N,2-diethyl-1-(5-methoxy-3-pyridinyl)butan-1-amine has a molecular weight of 280.41 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N,2-diethyl-1-(5-methoxy-3-pyridinyl)butan-1-amine is sourced from PubChem (CID 116760136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).