4,8,8-trimethyl-7,9-dihydro-6H-pyrido[1,2-a]benzimidazol-2-amine

C14H19N3 — CID 112555620

IUPAC4,8,8-trimethyl-7,9-dihydro-6H-pyrido[1,2-a]benzimidazol-2-amine
SMILESCc1cc(N)cn2c3c(nc12)CCC(C)(C)C3
InChIInChI=1S/C14H19N3/c1-9-6-10(15)8-17-12-7-14(2,3)5-4-11(12)16-13(9)17/h6,8H,4-5,7,15H2,1-3H3
InChIKeyTTXXEOSKSJMSGD-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.74
Rot. Bonds

About 4,8,8-trimethyl-7,9-dihydro-6H-pyrido[1,2-a]benzimidazol-2-amine

4,8,8-trimethyl-7,9-dihydro-6H-pyrido[1,2-a]benzimidazol-2-amine (PubChem CID 112555620) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4,8,8-trimethyl-7,9-dihydro-6H-pyrido[1,2-a]benzimidazol-2-amine.

Molecular Properties

Compound Name4,8,8-trimethyl-7,9-dihydro-6H-pyrido[1,2-a]benzimidazol-2-amine
PubChem CID112555620
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4,8,8-trimethyl-7,9-dihydro-6H-pyrido[1,2-a]benzimidazol-2-amine
SMILESCc1cc(N)cn2c3c(nc12)CCC(C)(C)C3
InChIInChI=1S/C14H19N3/c1-9-6-10(15)8-17-12-7-14(2,3)5-4-11(12)16-13(9)17/h6,8H,4-5,7,15H2,1-3H3
InChIKeyTTXXEOSKSJMSGD-UHFFFAOYSA-N
XLogP2.74
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,8,8-trimethyl-7,9-dihydro-6H-pyrido[1,2-a]benzimidazol-2-amine?
The IUPAC name of 4,8,8-trimethyl-7,9-dihydro-6H-pyrido[1,2-a]benzimidazol-2-amine (CID 112555620) is 4,8,8-trimethyl-7,9-dihydro-6H-pyrido[1,2-a]benzimidazol-2-amine.
What is the SMILES notation for 4,8,8-trimethyl-7,9-dihydro-6H-pyrido[1,2-a]benzimidazol-2-amine?
The canonical SMILES for 4,8,8-trimethyl-7,9-dihydro-6H-pyrido[1,2-a]benzimidazol-2-amine is Cc1cc(N)cn2c3c(nc12)CCC(C)(C)C3.
What is the InChIKey of 4,8,8-trimethyl-7,9-dihydro-6H-pyrido[1,2-a]benzimidazol-2-amine?
The InChIKey is TTXXEOSKSJMSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-9-6-10(15)8-17-12-7-14(2,3)5-4-11(12)16-13(9)17/h6,8H,4-5,7,15H2,1-3H3.
What are the key properties of 4,8,8-trimethyl-7,9-dihydro-6H-pyrido[1,2-a]benzimidazol-2-amine?
4,8,8-trimethyl-7,9-dihydro-6H-pyrido[1,2-a]benzimidazol-2-amine has a molecular weight of 229.33 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,8-trimethyl-7,9-dihydro-6H-pyrido[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 112555620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).