4-ethoxy-1-pyridin-3-ylbutan-2-amine

C11H18N2O — CID 112688280

IUPAC4-ethoxy-1-pyridin-3-ylbutan-2-amine
SMILESCCOCCC(N)Cc1cccnc1
InChIInChI=1S/C11H18N2O/c1-2-14-7-5-11(12)8-10-4-3-6-13-9-10/h3-4,6,9,11H,2,5,7-8,12H2,1H3
InChIKeyRXTOGVDVVVSAQU-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.38
Rot. Bonds6

About 4-ethoxy-1-pyridin-3-ylbutan-2-amine

4-ethoxy-1-pyridin-3-ylbutan-2-amine (PubChem CID 112688280) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-ethoxy-1-pyridin-3-ylbutan-2-amine.

Molecular Properties

Compound Name4-ethoxy-1-pyridin-3-ylbutan-2-amine
PubChem CID112688280
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-ethoxy-1-pyridin-3-ylbutan-2-amine
SMILESCCOCCC(N)Cc1cccnc1
InChIInChI=1S/C11H18N2O/c1-2-14-7-5-11(12)8-10-4-3-6-13-9-10/h3-4,6,9,11H,2,5,7-8,12H2,1H3
InChIKeyRXTOGVDVVVSAQU-UHFFFAOYSA-N
XLogP1.38
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
1-pyridin-3-ylundecan-2-amine
CID 62603230
1-N,1-N-dimethyl-4-pyridin-3-ylbutane-1,3-diamine
CID 104736690
(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine
CID 94470637
1-(4-ethylphenyl)-4-pyridin-3-ylbutan-2-amine
CID 105101899
4-propoxy-1-pyridin-3-ylbutan-2-ol
CID 105125026
4-(2-amino-4-ethoxybutyl)pyridin-2-amine
CID 106815067
1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-amine
CID 104736345
1-cyclopropyl-3-pyridin-3-ylpropan-2-amine
CID 64906812
3-ethoxy-3-ethyl-1-pyridin-3-ylpentan-2-amine
CID 116759597
4-ethyl-1-pyridin-3-yloctan-2-amine
CID 55087038
4-ethoxy-1-(furan-3-yl)butan-2-amine
CID 105177800

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-pyridin-3-ylbutan-2-amine?
The IUPAC name of 4-ethoxy-1-pyridin-3-ylbutan-2-amine (CID 112688280) is 4-ethoxy-1-pyridin-3-ylbutan-2-amine.
What is the SMILES notation for 4-ethoxy-1-pyridin-3-ylbutan-2-amine?
The canonical SMILES for 4-ethoxy-1-pyridin-3-ylbutan-2-amine is CCOCCC(N)Cc1cccnc1.
What is the InChIKey of 4-ethoxy-1-pyridin-3-ylbutan-2-amine?
The InChIKey is RXTOGVDVVVSAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-14-7-5-11(12)8-10-4-3-6-13-9-10/h3-4,6,9,11H,2,5,7-8,12H2,1H3.
What are the key properties of 4-ethoxy-1-pyridin-3-ylbutan-2-amine?
4-ethoxy-1-pyridin-3-ylbutan-2-amine has a molecular weight of 194.28 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-pyridin-3-ylbutan-2-amine is sourced from PubChem (CID 112688280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).