1-N,2-dimethyl-2-N-(6-propylpyridazin-3-yl)propane-1,2-diamine

C12H22N4 — CID 116971625

IUPAC1-N,2-dimethyl-2-N-(6-propylpyridazin-3-yl)propane-1,2-diamine
SMILESCCCc1ccc(NC(C)(C)CNC)nn1
InChIInChI=1S/C12H22N4/c1-5-6-10-7-8-11(16-15-10)14-12(2,3)9-13-4/h7-8,13H,5-6,9H2,1-4H3,(H,14,16)
InChIKeyGBIAHHGPBGTCJY-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.84
Rot. Bonds6

About 1-N,2-dimethyl-2-N-(6-propylpyridazin-3-yl)propane-1,2-diamine

1-N,2-dimethyl-2-N-(6-propylpyridazin-3-yl)propane-1,2-diamine (PubChem CID 116971625) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-N,2-dimethyl-2-N-(6-propylpyridazin-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-dimethyl-2-N-(6-propylpyridazin-3-yl)propane-1,2-diamine
PubChem CID116971625
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-N,2-dimethyl-2-N-(6-propylpyridazin-3-yl)propane-1,2-diamine
SMILESCCCc1ccc(NC(C)(C)CNC)nn1
InChIInChI=1S/C12H22N4/c1-5-6-10-7-8-11(16-15-10)14-12(2,3)9-13-4/h7-8,13H,5-6,9H2,1-4H3,(H,14,16)
InChIKeyGBIAHHGPBGTCJY-UHFFFAOYSA-N
XLogP1.84
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-dimethyl-2-N-(6-propylpyridazin-3-yl)propane-1,2-diamine?
The IUPAC name of 1-N,2-dimethyl-2-N-(6-propylpyridazin-3-yl)propane-1,2-diamine (CID 116971625) is 1-N,2-dimethyl-2-N-(6-propylpyridazin-3-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N,2-dimethyl-2-N-(6-propylpyridazin-3-yl)propane-1,2-diamine?
The canonical SMILES for 1-N,2-dimethyl-2-N-(6-propylpyridazin-3-yl)propane-1,2-diamine is CCCc1ccc(NC(C)(C)CNC)nn1.
What is the InChIKey of 1-N,2-dimethyl-2-N-(6-propylpyridazin-3-yl)propane-1,2-diamine?
The InChIKey is GBIAHHGPBGTCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-5-6-10-7-8-11(16-15-10)14-12(2,3)9-13-4/h7-8,13H,5-6,9H2,1-4H3,(H,14,16).
What are the key properties of 1-N,2-dimethyl-2-N-(6-propylpyridazin-3-yl)propane-1,2-diamine?
1-N,2-dimethyl-2-N-(6-propylpyridazin-3-yl)propane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-dimethyl-2-N-(6-propylpyridazin-3-yl)propane-1,2-diamine is sourced from PubChem (CID 116971625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).