2-methyl-1-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butan-1-amine

C12H18N4 — CID 79795530

IUPAC2-methyl-1-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butan-1-amine
SMILESCCC(C)C(N)c1nc2ncc(C)cc2[nH]1
InChIInChI=1S/C12H18N4/c1-4-8(3)10(13)12-15-9-5-7(2)6-14-11(9)16-12/h5-6,8,10H,4,13H2,1-3H3,(H,14,15,16)
InChIKeyIGRZELLCPBCSJD-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.31
Rot. Bonds3

About 2-methyl-1-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butan-1-amine

2-methyl-1-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butan-1-amine (PubChem CID 79795530) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-methyl-1-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butan-1-amine
PubChem CID79795530
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-methyl-1-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butan-1-amine
SMILESCCC(C)C(N)c1nc2ncc(C)cc2[nH]1
InChIInChI=1S/C12H18N4/c1-4-8(3)10(13)12-15-9-5-7(2)6-14-11(9)16-12/h5-6,8,10H,4,13H2,1-3H3,(H,14,15,16)
InChIKeyIGRZELLCPBCSJD-UHFFFAOYSA-N
XLogP2.31
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butan-1-amine?
The IUPAC name of 2-methyl-1-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butan-1-amine (CID 79795530) is 2-methyl-1-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-1-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butan-1-amine?
The canonical SMILES for 2-methyl-1-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butan-1-amine is CCC(C)C(N)c1nc2ncc(C)cc2[nH]1.
What is the InChIKey of 2-methyl-1-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butan-1-amine?
The InChIKey is IGRZELLCPBCSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-4-8(3)10(13)12-15-9-5-7(2)6-14-11(9)16-12/h5-6,8,10H,4,13H2,1-3H3,(H,14,15,16).
What are the key properties of 2-methyl-1-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butan-1-amine?
2-methyl-1-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butan-1-amine has a molecular weight of 218.30 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)butan-1-amine is sourced from PubChem (CID 79795530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).