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

C12H19N3 — CID 83967370

IUPAC7-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine
SMILESCC1CCc2c(nc3n2CC(N)CC3)C1
InChIInChI=1S/C12H19N3/c1-8-2-4-11-10(6-8)14-12-5-3-9(13)7-15(11)12/h8-9H,2-7,13H2,1H3
InChIKeyPAJDXDHPTOFJGZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.28
Rot. Bonds

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

7-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine (PubChem CID 83967370) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 7-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine.

Molecular Properties

Compound Name7-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine
PubChem CID83967370
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name7-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine
SMILESCC1CCc2c(nc3n2CC(N)CC3)C1
InChIInChI=1S/C12H19N3/c1-8-2-4-11-10(6-8)14-12-5-3-9(13)7-15(11)12/h8-9H,2-7,13H2,1H3
InChIKeyPAJDXDHPTOFJGZ-UHFFFAOYSA-N
XLogP1.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine?
The IUPAC name of 7-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine (CID 83967370) is 7-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine.
What is the SMILES notation for 7-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine?
The canonical SMILES for 7-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine is CC1CCc2c(nc3n2CC(N)CC3)C1.
What is the InChIKey of 7-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine?
The InChIKey is PAJDXDHPTOFJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-8-2-4-11-10(6-8)14-12-5-3-9(13)7-15(11)12/h8-9H,2-7,13H2,1H3.
What are the key properties of 7-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine?
7-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine has a molecular weight of 205.30 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 83967370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).