2-N-ethyl-1-N,1-N-dimethyl-2-N-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]propane-1,2-diamine

C16H27N5 — CID 103190021

IUPAC2-N-ethyl-1-N,1-N-dimethyl-2-N-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]propane-1,2-diamine
SMILESCCN(c1nc2ccccn2c1CNC)C(C)CN(C)C
InChIInChI=1S/C16H27N5/c1-6-20(13(2)12-19(4)5)16-14(11-17-3)21-10-8-7-9-15(21)18-16/h7-10,13,17H,6,11-12H2,1-5H3
InChIKeyFFDYIFVQDQRPHV-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.83
Rot. Bonds7

About 2-N-ethyl-1-N,1-N-dimethyl-2-N-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]propane-1,2-diamine

2-N-ethyl-1-N,1-N-dimethyl-2-N-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]propane-1,2-diamine (PubChem CID 103190021) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 2-N-ethyl-1-N,1-N-dimethyl-2-N-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N,1-N-dimethyl-2-N-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]propane-1,2-diamine
PubChem CID103190021
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name2-N-ethyl-1-N,1-N-dimethyl-2-N-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]propane-1,2-diamine
SMILESCCN(c1nc2ccccn2c1CNC)C(C)CN(C)C
InChIInChI=1S/C16H27N5/c1-6-20(13(2)12-19(4)5)16-14(11-17-3)21-10-8-7-9-15(21)18-16/h7-10,13,17H,6,11-12H2,1-5H3
InChIKeyFFDYIFVQDQRPHV-UHFFFAOYSA-N
XLogP1.83
TPSA35.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]propane-1,2-diamine (CID 103190021) is 2-N-ethyl-1-N,1-N-dimethyl-2-N-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]propane-1,2-diamine is CCN(c1nc2ccccn2c1CNC)C(C)CN(C)C.
What is the InChIKey of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]propane-1,2-diamine?
The InChIKey is FFDYIFVQDQRPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-6-20(13(2)12-19(4)5)16-14(11-17-3)21-10-8-7-9-15(21)18-16/h7-10,13,17H,6,11-12H2,1-5H3.
What are the key properties of 2-N-ethyl-1-N,1-N-dimethyl-2-N-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]propane-1,2-diamine?
2-N-ethyl-1-N,1-N-dimethyl-2-N-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]propane-1,2-diamine has a molecular weight of 289.43 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N,1-N-dimethyl-2-N-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]propane-1,2-diamine is sourced from PubChem (CID 103190021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).