bis(diethylamino)-methyl-(2-methylimidazo[1,2-a]pyridin-3-yl)phosphanium

C17H30N4P+ — CID 3421015

IUPACbis(diethylamino)-methyl-(2-methylimidazo[1,2-a]pyridin-3-yl)phosphanium
SMILESCCN(CC)[P+](C)(c1c(C)nc2ccccn12)N(CC)CC
InChIInChI=1S/C17H30N4P/c1-7-19(8-2)22(6,20(9-3)10-4)17-15(5)18-16-13-11-12-14-21(16)17/h11-14H,7-10H2,1-6H3/q+1
InChIKeyHASMMKSGEOCZTL-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.43
Rot. Bonds7

About bis(diethylamino)-methyl-(2-methylimidazo[1,2-a]pyridin-3-yl)phosphanium

bis(diethylamino)-methyl-(2-methylimidazo[1,2-a]pyridin-3-yl)phosphanium (PubChem CID 3421015) has the molecular formula C17H30N4P+ and a molecular weight of 321.43 g/mol. Its IUPAC name is bis(diethylamino)-methyl-(2-methylimidazo[1,2-a]pyridin-3-yl)phosphanium.

Molecular Properties

Compound Namebis(diethylamino)-methyl-(2-methylimidazo[1,2-a]pyridin-3-yl)phosphanium
PubChem CID3421015
Molecular FormulaC17H30N4P+
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Namebis(diethylamino)-methyl-(2-methylimidazo[1,2-a]pyridin-3-yl)phosphanium
SMILESCCN(CC)[P+](C)(c1c(C)nc2ccccn12)N(CC)CC
InChIInChI=1S/C17H30N4P/c1-7-19(8-2)22(6,20(9-3)10-4)17-15(5)18-16-13-11-12-14-21(16)17/h11-14H,7-10H2,1-6H3/q+1
InChIKeyHASMMKSGEOCZTL-UHFFFAOYSA-N
XLogP3.43
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(diethylamino)-methyl-(2-methylimidazo[1,2-a]pyridin-3-yl)phosphanium?
The IUPAC name of bis(diethylamino)-methyl-(2-methylimidazo[1,2-a]pyridin-3-yl)phosphanium (CID 3421015) is bis(diethylamino)-methyl-(2-methylimidazo[1,2-a]pyridin-3-yl)phosphanium.
What is the SMILES notation for bis(diethylamino)-methyl-(2-methylimidazo[1,2-a]pyridin-3-yl)phosphanium?
The canonical SMILES for bis(diethylamino)-methyl-(2-methylimidazo[1,2-a]pyridin-3-yl)phosphanium is CCN(CC)[P+](C)(c1c(C)nc2ccccn12)N(CC)CC.
What is the InChIKey of bis(diethylamino)-methyl-(2-methylimidazo[1,2-a]pyridin-3-yl)phosphanium?
The InChIKey is HASMMKSGEOCZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4P/c1-7-19(8-2)22(6,20(9-3)10-4)17-15(5)18-16-13-11-12-14-21(16)17/h11-14H,7-10H2,1-6H3/q+1.
What are the key properties of bis(diethylamino)-methyl-(2-methylimidazo[1,2-a]pyridin-3-yl)phosphanium?
bis(diethylamino)-methyl-(2-methylimidazo[1,2-a]pyridin-3-yl)phosphanium has a molecular weight of 321.43 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diethylamino)-methyl-(2-methylimidazo[1,2-a]pyridin-3-yl)phosphanium is sourced from PubChem (CID 3421015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).