2-ethoxy-1-(5-methoxy-3-pyridinyl)-3,3-dimethyl-N-propylbutan-1-amine

C17H30N2O2 — CID 116726056

IUPAC2-ethoxy-1-(5-methoxy-3-pyridinyl)-3,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1cncc(OC)c1)C(OCC)C(C)(C)C
InChIInChI=1S/C17H30N2O2/c1-7-9-19-15(16(21-8-2)17(3,4)5)13-10-14(20-6)12-18-11-13/h10-12,15-16,19H,7-9H2,1-6H3
InChIKeyGQOZFNISAJIPRT-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.58
Rot. Bonds8

About 2-ethoxy-1-(5-methoxy-3-pyridinyl)-3,3-dimethyl-N-propylbutan-1-amine

2-ethoxy-1-(5-methoxy-3-pyridinyl)-3,3-dimethyl-N-propylbutan-1-amine (PubChem CID 116726056) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-ethoxy-1-(5-methoxy-3-pyridinyl)-3,3-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(5-methoxy-3-pyridinyl)-3,3-dimethyl-N-propylbutan-1-amine
PubChem CID116726056
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-ethoxy-1-(5-methoxy-3-pyridinyl)-3,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNC(c1cncc(OC)c1)C(OCC)C(C)(C)C
InChIInChI=1S/C17H30N2O2/c1-7-9-19-15(16(21-8-2)17(3,4)5)13-10-14(20-6)12-18-11-13/h10-12,15-16,19H,7-9H2,1-6H3
InChIKeyGQOZFNISAJIPRT-UHFFFAOYSA-N
XLogP3.58
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-1-(5-methoxy-3-pyridinyl)-3-methyl-N-propylbutan-1-amine
CID 116721748
N-[1-(5-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105175348
1-(5-methoxy-3-pyridinyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 105026226
1-(5-methoxy-3-pyridinyl)-3,4,4-trimethyl-N-propylpentan-1-amine
CID 105026112
2-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116725959
2-ethoxy-3,3-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 116725958
2-ethoxy-3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 116726066
2-ethoxy-3,3-dimethyl-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 116726100
1-(5-methoxy-3-pyridinyl)-N-propylhexan-1-amine
CID 105026088
2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-propylpropan-1-amine
CID 64534211
2-methoxy-3-methyl-1-(5-propan-2-yloxy-3-pyridinyl)-N-propylbutan-1-amine
CID 116720620
N-[(1-ethylcyclopentyl)-(5-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105026181

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(5-methoxy-3-pyridinyl)-3,3-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 2-ethoxy-1-(5-methoxy-3-pyridinyl)-3,3-dimethyl-N-propylbutan-1-amine (CID 116726056) is 2-ethoxy-1-(5-methoxy-3-pyridinyl)-3,3-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(5-methoxy-3-pyridinyl)-3,3-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 2-ethoxy-1-(5-methoxy-3-pyridinyl)-3,3-dimethyl-N-propylbutan-1-amine is CCCNC(c1cncc(OC)c1)C(OCC)C(C)(C)C.
What is the InChIKey of 2-ethoxy-1-(5-methoxy-3-pyridinyl)-3,3-dimethyl-N-propylbutan-1-amine?
The InChIKey is GQOZFNISAJIPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-7-9-19-15(16(21-8-2)17(3,4)5)13-10-14(20-6)12-18-11-13/h10-12,15-16,19H,7-9H2,1-6H3.
What are the key properties of 2-ethoxy-1-(5-methoxy-3-pyridinyl)-3,3-dimethyl-N-propylbutan-1-amine?
2-ethoxy-1-(5-methoxy-3-pyridinyl)-3,3-dimethyl-N-propylbutan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(5-methoxy-3-pyridinyl)-3,3-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 116726056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).