2-N,2-N-diethyl-1-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpropane-1,2-diamine

C21H28N4 — CID 87021501

IUPAC2-N,2-N-diethyl-1-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpropane-1,2-diamine
SMILESCCN(CC)C(CNCc1cnc2ccccn12)Cc1ccccc1
InChIInChI=1S/C21H28N4/c1-3-24(4-2)19(14-18-10-6-5-7-11-18)15-22-16-20-17-23-21-12-8-9-13-25(20)21/h5-13,17,19,22H,3-4,14-16H2,1-2H3
InChIKeyCOSCAAVSZHULOU-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.38
Rot. Bonds9

About 2-N,2-N-diethyl-1-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpropane-1,2-diamine

2-N,2-N-diethyl-1-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpropane-1,2-diamine (PubChem CID 87021501) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-1-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpropane-1,2-diamine
PubChem CID87021501
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC Name2-N,2-N-diethyl-1-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpropane-1,2-diamine
SMILESCCN(CC)C(CNCc1cnc2ccccn12)Cc1ccccc1
InChIInChI=1S/C21H28N4/c1-3-24(4-2)19(14-18-10-6-5-7-11-18)15-22-16-20-17-23-21-12-8-9-13-25(20)21/h5-13,17,19,22H,3-4,14-16H2,1-2H3
InChIKeyCOSCAAVSZHULOU-UHFFFAOYSA-N
XLogP3.38
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N,2-N-diethyl-1-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpropane-1,2-diamine with MolForge

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Related Compounds

1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride
CID 73012288
N-(imidazo[1,2-a]pyridin-3-ylmethyl)butan-2-amine
CID 115587073
N-(imidazo[1,2-a]pyridin-3-ylmethyl)pentan-3-amine;hydrochloride
CID 115587049
2-ethoxy-N-(imidazo[1,2-a]pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 115587150
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-methylbutan-2-amine
CID 115591964
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-methylsulfanylpropan-2-amine
CID 115639682
3-(imidazo[1,2-a]pyridin-3-ylmethylamino)-N-propan-2-ylpropanamide
CID 87021486
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-phenylmethanamine;N-[(6-methylsulfanylimidazo[1,2-a]pyridin-3-yl)methyl]-1-pyridin-3-ylmethanamine
CID 178168711
2-(2-chlorophenyl)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-methylpropan-1-amine
CID 86886867
2-imidazo[1,2-a]pyridin-3-yl-N-methylethanamine
CID 82598866
3-benzhydryl-1-ethyl-1-(imidazo[1,2-a]pyridin-3-ylmethyl)urea
CID 71802045
methyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate
CID 99837979

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpropane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-1-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpropane-1,2-diamine (CID 87021501) is 2-N,2-N-diethyl-1-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-1-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-1-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpropane-1,2-diamine is CCN(CC)C(CNCc1cnc2ccccn12)Cc1ccccc1.
What is the InChIKey of 2-N,2-N-diethyl-1-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpropane-1,2-diamine?
The InChIKey is COSCAAVSZHULOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4/c1-3-24(4-2)19(14-18-10-6-5-7-11-18)15-22-16-20-17-23-21-12-8-9-13-25(20)21/h5-13,17,19,22H,3-4,14-16H2,1-2H3.
What are the key properties of 2-N,2-N-diethyl-1-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpropane-1,2-diamine?
2-N,2-N-diethyl-1-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpropane-1,2-diamine has a molecular weight of 336.48 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 87021501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).