1-(2-ethoxy-3-pyridinyl)butan-1-amine

C11H18N2O — CID 55296374

IUPAC1-(2-ethoxy-3-pyridinyl)butan-1-amine
SMILESCCCC(N)c1cccnc1OCC
InChIInChI=1S/C11H18N2O/c1-3-6-10(12)9-7-5-8-13-11(9)14-4-2/h5,7-8,10H,3-4,6,12H2,1-2H3
InChIKeyJCTYXHMBIKZCRX-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.28
Rot. Bonds5

About 1-(2-ethoxy-3-pyridinyl)butan-1-amine

1-(2-ethoxy-3-pyridinyl)butan-1-amine (PubChem CID 55296374) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(2-ethoxy-3-pyridinyl)butan-1-amine.

Molecular Properties

Compound Name1-(2-ethoxy-3-pyridinyl)butan-1-amine
PubChem CID55296374
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(2-ethoxy-3-pyridinyl)butan-1-amine
SMILESCCCC(N)c1cccnc1OCC
InChIInChI=1S/C11H18N2O/c1-3-6-10(12)9-7-5-8-13-11(9)14-4-2/h5,7-8,10H,3-4,6,12H2,1-2H3
InChIKeyJCTYXHMBIKZCRX-UHFFFAOYSA-N
XLogP2.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-ethoxy-3-pyridinyl)ethane-1,2-diamine
CID 55291895
2-amino-2-(2-ethoxy-3-pyridinyl)ethanol
CID 55294211
2-ethoxy-3-hexan-3-ylpyridine
CID 130368203
(1R)-1-(2-chloro-3-pyridinyl)butan-1-amine
CID 55277738
1-(2-methoxy-3-pyridinyl)octan-1-amine
CID 105124612
2-ethoxy-3-propan-2-ylpyridine
CID 58551728
1-quinolin-8-ylbutan-1-amine
CID 79016206
cyclopropyl-(2-ethoxy-3-pyridinyl)methanamine
CID 55296468
(1R)-1-(2-nitro-3-pyridinyl)butan-1-amine
CID 55262751
2-(2-ethoxy-3-pyridinyl)propanenitrile
CID 175668388
1-(2-methoxy-3-pyridinyl)hex-4-yn-1-amine
CID 105181377
(1R)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine
CID 131140420

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-3-pyridinyl)butan-1-amine?
The IUPAC name of 1-(2-ethoxy-3-pyridinyl)butan-1-amine (CID 55296374) is 1-(2-ethoxy-3-pyridinyl)butan-1-amine.
What is the SMILES notation for 1-(2-ethoxy-3-pyridinyl)butan-1-amine?
The canonical SMILES for 1-(2-ethoxy-3-pyridinyl)butan-1-amine is CCCC(N)c1cccnc1OCC.
What is the InChIKey of 1-(2-ethoxy-3-pyridinyl)butan-1-amine?
The InChIKey is JCTYXHMBIKZCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-6-10(12)9-7-5-8-13-11(9)14-4-2/h5,7-8,10H,3-4,6,12H2,1-2H3.
What are the key properties of 1-(2-ethoxy-3-pyridinyl)butan-1-amine?
1-(2-ethoxy-3-pyridinyl)butan-1-amine has a molecular weight of 194.28 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-3-pyridinyl)butan-1-amine is sourced from PubChem (CID 55296374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).