2-N,2-N-diethyl-2-methyl-1-N-(5-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine

C19H28N4 — CID 15678726

IUPAC2-N,2-N-diethyl-2-methyl-1-N-(5-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine
SMILESCCN(CC)C(C)(C)CNc1cc(C)c(-c2ccccc2)nn1
InChIInChI=1S/C19H28N4/c1-6-23(7-2)19(4,5)14-20-17-13-15(3)18(22-21-17)16-11-9-8-10-12-16/h8-13H,6-7,14H2,1-5H3,(H,20,21)
InChIKeyQFHRLPCDKGUGAD-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.98
Rot. Bonds7

About 2-N,2-N-diethyl-2-methyl-1-N-(5-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine

2-N,2-N-diethyl-2-methyl-1-N-(5-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine (PubChem CID 15678726) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-N,2-N-diethyl-2-methyl-1-N-(5-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-2-methyl-1-N-(5-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine
PubChem CID15678726
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name2-N,2-N-diethyl-2-methyl-1-N-(5-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine
SMILESCCN(CC)C(C)(C)CNc1cc(C)c(-c2ccccc2)nn1
InChIInChI=1S/C19H28N4/c1-6-23(7-2)19(4,5)14-20-17-13-15(3)18(22-21-17)16-11-9-8-10-12-16/h8-13H,6-7,14H2,1-5H3,(H,20,21)
InChIKeyQFHRLPCDKGUGAD-UHFFFAOYSA-N
XLogP3.98
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-2-methyl-1-N-(5-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-2-methyl-1-N-(5-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine (CID 15678726) is 2-N,2-N-diethyl-2-methyl-1-N-(5-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-2-methyl-1-N-(5-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-2-methyl-1-N-(5-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine is CCN(CC)C(C)(C)CNc1cc(C)c(-c2ccccc2)nn1.
What is the InChIKey of 2-N,2-N-diethyl-2-methyl-1-N-(5-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine?
The InChIKey is QFHRLPCDKGUGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-6-23(7-2)19(4,5)14-20-17-13-15(3)18(22-21-17)16-11-9-8-10-12-16/h8-13H,6-7,14H2,1-5H3,(H,20,21).
What are the key properties of 2-N,2-N-diethyl-2-methyl-1-N-(5-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine?
2-N,2-N-diethyl-2-methyl-1-N-(5-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine has a molecular weight of 312.46 g/mol, XLogP of 3.98, 7 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-2-methyl-1-N-(5-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine is sourced from PubChem (CID 15678726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).