3-(2-ethoxy-3,4-dihydropyridin-5-yl)-N-methylbutan-1-amine

C12H22N2O — CID 143782088

IUPAC3-(2-ethoxy-3,4-dihydropyridin-5-yl)-N-methylbutan-1-amine
SMILESCCOC1=NC=C(C(C)CCNC)CC1
InChIInChI=1S/C12H22N2O/c1-4-15-12-6-5-11(9-14-12)10(2)7-8-13-3/h9-10,13H,4-8H2,1-3H3
InChIKeyBYRGRTJLMBEDTJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.34
Rot. Bonds5

About 3-(2-ethoxy-3,4-dihydropyridin-5-yl)-N-methylbutan-1-amine

3-(2-ethoxy-3,4-dihydropyridin-5-yl)-N-methylbutan-1-amine (PubChem CID 143782088) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(2-ethoxy-3,4-dihydropyridin-5-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name3-(2-ethoxy-3,4-dihydropyridin-5-yl)-N-methylbutan-1-amine
PubChem CID143782088
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-(2-ethoxy-3,4-dihydropyridin-5-yl)-N-methylbutan-1-amine
SMILESCCOC1=NC=C(C(C)CCNC)CC1
InChIInChI=1S/C12H22N2O/c1-4-15-12-6-5-11(9-14-12)10(2)7-8-13-3/h9-10,13H,4-8H2,1-3H3
InChIKeyBYRGRTJLMBEDTJ-UHFFFAOYSA-N
XLogP2.34
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(1-methylpyrazol-4-yl)butan-1-amine
CID 81011779
3-(2-bromophenyl)-N-methylbutan-1-amine
CID 83693034
3-(4-butan-2-ylphenyl)-N-methylbutan-1-amine
CID 112507884
ethane;N,3,4-trimethylhexan-1-amine
CID 145138668
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-ol
CID 112509819
1-(2-ethoxyphenyl)-4-(methylamino)butane-1,2-diol
CID 171890149
ethane;3-ethoxy-N-methylbutan-1-amine
CID 172587182
3-(2,4-dimethoxyphenyl)-N-methylbutan-1-amine
CID 79018777
3-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103434677
5-(3,4-diethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 65304908
N-methyl-3-(2,3,4-trifluorophenyl)butan-1-amine
CID 81012969
N-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 54914008

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-3,4-dihydropyridin-5-yl)-N-methylbutan-1-amine?
The IUPAC name of 3-(2-ethoxy-3,4-dihydropyridin-5-yl)-N-methylbutan-1-amine (CID 143782088) is 3-(2-ethoxy-3,4-dihydropyridin-5-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 3-(2-ethoxy-3,4-dihydropyridin-5-yl)-N-methylbutan-1-amine?
The canonical SMILES for 3-(2-ethoxy-3,4-dihydropyridin-5-yl)-N-methylbutan-1-amine is CCOC1=NC=C(C(C)CCNC)CC1.
What is the InChIKey of 3-(2-ethoxy-3,4-dihydropyridin-5-yl)-N-methylbutan-1-amine?
The InChIKey is BYRGRTJLMBEDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-15-12-6-5-11(9-14-12)10(2)7-8-13-3/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 3-(2-ethoxy-3,4-dihydropyridin-5-yl)-N-methylbutan-1-amine?
3-(2-ethoxy-3,4-dihydropyridin-5-yl)-N-methylbutan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-3,4-dihydropyridin-5-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 143782088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).