3-[2-(methylamino)-2-(2-methylfuran-3-yl)ethyl]pyridin-2-amine

C13H17N3O — CID 113453367

IUPAC3-[2-(methylamino)-2-(2-methylfuran-3-yl)ethyl]pyridin-2-amine
SMILESCNC(Cc1cccnc1N)c1ccoc1C
InChIInChI=1S/C13H17N3O/c1-9-11(5-7-17-9)12(15-2)8-10-4-3-6-16-13(10)14/h3-7,12,15H,8H2,1-2H3,(H2,14,16)
InChIKeyBXJWUBJQCGKMRW-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.07
Rot. Bonds4

About 3-[2-(methylamino)-2-(2-methylfuran-3-yl)ethyl]pyridin-2-amine

3-[2-(methylamino)-2-(2-methylfuran-3-yl)ethyl]pyridin-2-amine (PubChem CID 113453367) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[2-(methylamino)-2-(2-methylfuran-3-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(methylamino)-2-(2-methylfuran-3-yl)ethyl]pyridin-2-amine
PubChem CID113453367
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[2-(methylamino)-2-(2-methylfuran-3-yl)ethyl]pyridin-2-amine
SMILESCNC(Cc1cccnc1N)c1ccoc1C
InChIInChI=1S/C13H17N3O/c1-9-11(5-7-17-9)12(15-2)8-10-4-3-6-16-13(10)14/h3-7,12,15H,8H2,1-2H3,(H2,14,16)
InChIKeyBXJWUBJQCGKMRW-UHFFFAOYSA-N
XLogP2.07
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(methylamino)-2-(2-methylpyrimidin-4-yl)ethyl]pyridin-2-amine
CID 113329550
3-[2-(methylamino)-2-(2,4,6-trifluorophenyl)ethyl]pyridin-2-amine
CID 107920651
3-[2-(6-methoxypyridazin-3-yl)-2-(methylamino)ethyl]pyridin-2-amine
CID 103374238
[2-(2-chlorophenyl)-1-(2-methylfuran-3-yl)ethyl]hydrazine
CID 105269073
2-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789911
3-(2-methylpropyl)pyridin-2-amine
CID 20771927
3-[2-(3-bromo-4-fluorophenyl)-2-(methylamino)ethyl]pyridin-2-amine
CID 82809316
3-[2-(3-bromo-4-chlorophenyl)-2-(methylamino)ethyl]pyridin-2-amine
CID 115567050
3-[2-methyl-3-(methylamino)propyl]pyridin-2-amine
CID 64664973
2-(3,5-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 105406972
3-[2-(ethylamino)-2-(2-fluoro-3-methylphenyl)ethyl]pyridin-2-amine
CID 107111565
4-[2-hydrazinyl-2-(2-methylfuran-3-yl)ethyl]pyridin-2-amine
CID 105269050

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)-2-(2-methylfuran-3-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3-[2-(methylamino)-2-(2-methylfuran-3-yl)ethyl]pyridin-2-amine (CID 113453367) is 3-[2-(methylamino)-2-(2-methylfuran-3-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-(methylamino)-2-(2-methylfuran-3-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[2-(methylamino)-2-(2-methylfuran-3-yl)ethyl]pyridin-2-amine is CNC(Cc1cccnc1N)c1ccoc1C.
What is the InChIKey of 3-[2-(methylamino)-2-(2-methylfuran-3-yl)ethyl]pyridin-2-amine?
The InChIKey is BXJWUBJQCGKMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-11(5-7-17-9)12(15-2)8-10-4-3-6-16-13(10)14/h3-7,12,15H,8H2,1-2H3,(H2,14,16).
What are the key properties of 3-[2-(methylamino)-2-(2-methylfuran-3-yl)ethyl]pyridin-2-amine?
3-[2-(methylamino)-2-(2-methylfuran-3-yl)ethyl]pyridin-2-amine has a molecular weight of 231.30 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)-2-(2-methylfuran-3-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 113453367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).