2-(5-ethoxy-3-pyridinyl)-3-methylbutan-1-amine

C12H20N2O — CID 83884024

IUPAC2-(5-ethoxy-3-pyridinyl)-3-methylbutan-1-amine
SMILESCCOc1cncc(C(CN)C(C)C)c1
InChIInChI=1S/C12H20N2O/c1-4-15-11-5-10(7-14-8-11)12(6-13)9(2)3/h5,7-9,12H,4,6,13H2,1-3H3
InChIKeyBBWYTIFLVXXXAL-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.18
Rot. Bonds5

About 2-(5-ethoxy-3-pyridinyl)-3-methylbutan-1-amine

2-(5-ethoxy-3-pyridinyl)-3-methylbutan-1-amine (PubChem CID 83884024) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(5-ethoxy-3-pyridinyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(5-ethoxy-3-pyridinyl)-3-methylbutan-1-amine
PubChem CID83884024
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(5-ethoxy-3-pyridinyl)-3-methylbutan-1-amine
SMILESCCOc1cncc(C(CN)C(C)C)c1
InChIInChI=1S/C12H20N2O/c1-4-15-11-5-10(7-14-8-11)12(6-13)9(2)3/h5,7-9,12H,4,6,13H2,1-3H3
InChIKeyBBWYTIFLVXXXAL-UHFFFAOYSA-N
XLogP2.18
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethoxy-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105175454
1-(5-ethoxy-3-pyridinyl)-2-phenylbutan-1-amine
CID 105026478
[(3,5-dichlorophenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105329954
1-(3,5-dimethylphenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 105026319
[(5-ethoxy-3-pyridinyl)-(1,3-thiazol-4-yl)methyl]hydrazine
CID 105254414
[(3,5-dimethyl-2-pyridinyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105266409
1-(5-ethoxy-3-pyridinyl)-3-ethylpentane-1,2-diol
CID 103459699
1-(5-ethoxy-3-pyridinyl)-2,2-difluoro-N-methylethanamine
CID 103517001
(2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026374
(5-ethoxy-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanamine
CID 105175526
6-bicyclo[3.1.0]hexanyl-(5-ethoxy-3-pyridinyl)methanamine
CID 105026358
[(4-chloro-2,5-difluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105329963

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-3-pyridinyl)-3-methylbutan-1-amine?
The IUPAC name of 2-(5-ethoxy-3-pyridinyl)-3-methylbutan-1-amine (CID 83884024) is 2-(5-ethoxy-3-pyridinyl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(5-ethoxy-3-pyridinyl)-3-methylbutan-1-amine?
The canonical SMILES for 2-(5-ethoxy-3-pyridinyl)-3-methylbutan-1-amine is CCOc1cncc(C(CN)C(C)C)c1.
What is the InChIKey of 2-(5-ethoxy-3-pyridinyl)-3-methylbutan-1-amine?
The InChIKey is BBWYTIFLVXXXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-15-11-5-10(7-14-8-11)12(6-13)9(2)3/h5,7-9,12H,4,6,13H2,1-3H3.
What are the key properties of 2-(5-ethoxy-3-pyridinyl)-3-methylbutan-1-amine?
2-(5-ethoxy-3-pyridinyl)-3-methylbutan-1-amine has a molecular weight of 208.30 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-3-pyridinyl)-3-methylbutan-1-amine is sourced from PubChem (CID 83884024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).