N-ethyl-3-methoxy-3-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine

C16H28N2O2 — CID 103028938

IUPACN-ethyl-3-methoxy-3-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine
SMILESCCCOc1cncc(C(CC(C)(C)OC)NCC)c1
InChIInChI=1S/C16H28N2O2/c1-6-8-20-14-9-13(11-17-12-14)15(18-7-2)10-16(3,4)19-5/h9,11-12,15,18H,6-8,10H2,1-5H3
InChIKeyDGHDXQYZNBJVBM-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.34
Rot. Bonds9

About N-ethyl-3-methoxy-3-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine

N-ethyl-3-methoxy-3-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine (PubChem CID 103028938) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-ethyl-3-methoxy-3-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-3-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine
PubChem CID103028938
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-ethyl-3-methoxy-3-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine
SMILESCCCOc1cncc(C(CC(C)(C)OC)NCC)c1
InChIInChI=1S/C16H28N2O2/c1-6-8-20-14-9-13(11-17-12-14)15(18-7-2)10-16(3,4)19-5/h9,11-12,15,18H,6-8,10H2,1-5H3
InChIKeyDGHDXQYZNBJVBM-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

N-ethyl-2-(1-methoxycyclobutyl)-1-(5-propoxy-3-pyridinyl)ethanamine
CID 103559738
N-[(5-propoxy-3-pyridinyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105026939
4-methoxy-N-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-amine
CID 105175683
N-methyl-1-(5-propoxy-3-pyridinyl)nonan-1-amine
CID 105026682
2,2,2-trifluoro-N-methyl-1-(5-propoxy-3-pyridinyl)ethanamine
CID 105026955
2-ethoxy-N,2-dimethyl-1-(5-propoxy-3-pyridinyl)propan-1-amine
CID 116726587
2-methyl-2-methylsulfonyl-1-(5-propoxy-3-pyridinyl)propan-1-ol
CID 115829152
N-ethyl-3-methoxy-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 103028638
[3-methylsulfanyl-1-(5-propoxy-3-pyridinyl)propyl]hydrazine
CID 105330104
2-ethyl-1-(5-propoxy-3-pyridinyl)butane-1,2-diol
CID 103449515
N-[(2-methylfuran-3-yl)-(5-propoxy-3-pyridinyl)methyl]ethanamine
CID 104790228
[2-phenyl-1-(5-propoxy-3-pyridinyl)ethyl]hydrazine
CID 105195381

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-3-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine?
The IUPAC name of N-ethyl-3-methoxy-3-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine (CID 103028938) is N-ethyl-3-methoxy-3-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine.
What is the SMILES notation for N-ethyl-3-methoxy-3-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine?
The canonical SMILES for N-ethyl-3-methoxy-3-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine is CCCOc1cncc(C(CC(C)(C)OC)NCC)c1.
What is the InChIKey of N-ethyl-3-methoxy-3-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine?
The InChIKey is DGHDXQYZNBJVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-6-8-20-14-9-13(11-17-12-14)15(18-7-2)10-16(3,4)19-5/h9,11-12,15,18H,6-8,10H2,1-5H3.
What are the key properties of N-ethyl-3-methoxy-3-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine?
N-ethyl-3-methoxy-3-methyl-1-(5-propoxy-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 N-ethyl-3-methoxy-3-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine is sourced from PubChem (CID 103028938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).