2-[7-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-N,N-dimethylethanamine

C12H18N4 — CID 117143453

IUPAC2-[7-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1ncc2cc(CN)ccn12
InChIInChI=1S/C12H18N4/c1-15(2)5-4-12-14-9-11-7-10(8-13)3-6-16(11)12/h3,6-7,9H,4-5,8,13H2,1-2H3
InChIKeyYKCDPGFLAUSBJM-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.90
Rot. Bonds4

About 2-[7-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-N,N-dimethylethanamine

2-[7-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-N,N-dimethylethanamine (PubChem CID 117143453) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[7-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[7-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-N,N-dimethylethanamine
PubChem CID117143453
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-[7-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1ncc2cc(CN)ccn12
InChIInChI=1S/C12H18N4/c1-15(2)5-4-12-14-9-11-7-10(8-13)3-6-16(11)12/h3,6-7,9H,4-5,8,13H2,1-2H3
InChIKeyYKCDPGFLAUSBJM-UHFFFAOYSA-N
XLogP0.90
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[7-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-N,N-dimethylethanamine (CID 117143453) is 2-[7-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[7-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[7-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-N,N-dimethylethanamine is CN(C)CCc1ncc2cc(CN)ccn12.
What is the InChIKey of 2-[7-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-N,N-dimethylethanamine?
The InChIKey is YKCDPGFLAUSBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-15(2)5-4-12-14-9-11-7-10(8-13)3-6-16(11)12/h3,6-7,9H,4-5,8,13H2,1-2H3.
What are the key properties of 2-[7-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-N,N-dimethylethanamine?
2-[7-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-N,N-dimethylethanamine has a molecular weight of 218.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 117143453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).