4-methyl-8-(2-methylbutan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine

C17H29N3 — CID 115910866

IUPAC4-methyl-8-(2-methylbutan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine
SMILESCCC(C)(C)C1CCc2nc3n(c2C1)CC(N)CC3C
InChIInChI=1S/C17H29N3/c1-5-17(3,4)12-6-7-14-15(9-12)20-10-13(18)8-11(2)16(20)19-14/h11-13H,5-10,18H2,1-4H3
InChIKeyYLDSEXWBKZKVGN-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.26
Rot. Bonds2

About 4-methyl-8-(2-methylbutan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine

4-methyl-8-(2-methylbutan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine (PubChem CID 115910866) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-methyl-8-(2-methylbutan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-8-(2-methylbutan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine
PubChem CID115910866
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name4-methyl-8-(2-methylbutan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine
SMILESCCC(C)(C)C1CCc2nc3n(c2C1)CC(N)CC3C
InChIInChI=1S/C17H29N3/c1-5-17(3,4)12-6-7-14-15(9-12)20-10-13(18)8-11(2)16(20)19-14/h11-13H,5-10,18H2,1-4H3
InChIKeyYLDSEXWBKZKVGN-UHFFFAOYSA-N
XLogP3.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-(2-methylbutan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine?
The IUPAC name of 4-methyl-8-(2-methylbutan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine (CID 115910866) is 4-methyl-8-(2-methylbutan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine.
What is the SMILES notation for 4-methyl-8-(2-methylbutan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine?
The canonical SMILES for 4-methyl-8-(2-methylbutan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine is CCC(C)(C)C1CCc2nc3n(c2C1)CC(N)CC3C.
What is the InChIKey of 4-methyl-8-(2-methylbutan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine?
The InChIKey is YLDSEXWBKZKVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-17(3,4)12-6-7-14-15(9-12)20-10-13(18)8-11(2)16(20)19-14/h11-13H,5-10,18H2,1-4H3.
What are the key properties of 4-methyl-8-(2-methylbutan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine?
4-methyl-8-(2-methylbutan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-(2-methylbutan-2-yl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 115910866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).