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

C11H18N2O — CID 105165178

IUPAC1-ethoxy-4-pyridin-2-ylbutan-2-amine
SMILESCCOCC(N)CCc1ccccn1
InChIInChI=1S/C11H18N2O/c1-2-14-9-10(12)6-7-11-5-3-4-8-13-11/h3-5,8,10H,2,6-7,9,12H2,1H3
InChIKeyVIOXNIOYNABEAZ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.38
Rot. Bonds6

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

1-ethoxy-4-pyridin-2-ylbutan-2-amine (PubChem CID 105165178) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-ethoxy-4-pyridin-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-ethoxy-4-pyridin-2-ylbutan-2-amine
PubChem CID105165178
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-ethoxy-4-pyridin-2-ylbutan-2-amine
SMILESCCOCC(N)CCc1ccccn1
InChIInChI=1S/C11H18N2O/c1-2-14-9-10(12)6-7-11-5-3-4-8-13-11/h3-5,8,10H,2,6-7,9,12H2,1H3
InChIKeyVIOXNIOYNABEAZ-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

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Related Compounds

(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
2-[2-(ethoxymethoxy)ethyl]pyridine
CID 20729603
3-amino-5-pyridin-2-ylpentanamide
CID 154265454
1-(2,6-dimethylphenyl)-4-pyridin-2-ylbutan-2-amine
CID 105174650
1-propoxy-4-pyridin-2-ylbutan-2-ol
CID 105112007
ethyl 2-cyano-4-pyridin-2-ylbutanoate
CID 14942477
1-(4-ethylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105121774
1-(2-propyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylbutan-2-amine
CID 105162643
2-(3-ethyl-4-methylpentyl)pyridine
CID 67454741
1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-2-ylbutan-2-amine
CID 105154923
2-(3-methyloctyl)pyridine;hydrochloride
CID 172780204
2-methoxy-4-pyridin-2-ylbutan-1-ol
CID 145217411

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-pyridin-2-ylbutan-2-amine?
The IUPAC name of 1-ethoxy-4-pyridin-2-ylbutan-2-amine (CID 105165178) is 1-ethoxy-4-pyridin-2-ylbutan-2-amine.
What is the SMILES notation for 1-ethoxy-4-pyridin-2-ylbutan-2-amine?
The canonical SMILES for 1-ethoxy-4-pyridin-2-ylbutan-2-amine is CCOCC(N)CCc1ccccn1.
What is the InChIKey of 1-ethoxy-4-pyridin-2-ylbutan-2-amine?
The InChIKey is VIOXNIOYNABEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-14-9-10(12)6-7-11-5-3-4-8-13-11/h3-5,8,10H,2,6-7,9,12H2,1H3.
What are the key properties of 1-ethoxy-4-pyridin-2-ylbutan-2-amine?
1-ethoxy-4-pyridin-2-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 1-ethoxy-4-pyridin-2-ylbutan-2-amine is sourced from PubChem (CID 105165178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).