N',2,2-trimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine

C11H20N4 — CID 106550223

IUPACN',2,2-trimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
SMILESCc1cnnc(N(C)CC(C)(C)CN)c1
InChIInChI=1S/C11H20N4/c1-9-5-10(14-13-6-9)15(4)8-11(2,3)7-12/h5-6H,7-8,12H2,1-4H3
InChIKeyIMCUPHXLHVLCMK-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.21
Rot. Bonds4

About N',2,2-trimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine

N',2,2-trimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine (PubChem CID 106550223) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
PubChem CID106550223
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN',2,2-trimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
SMILESCc1cnnc(N(C)CC(C)(C)CN)c1
InChIInChI=1S/C11H20N4/c1-9-5-10(14-13-6-9)15(4)8-11(2,3)7-12/h5-6H,7-8,12H2,1-4H3
InChIKeyIMCUPHXLHVLCMK-UHFFFAOYSA-N
XLogP1.21
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine?
The IUPAC name of N',2,2-trimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine (CID 106550223) is N',2,2-trimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine is Cc1cnnc(N(C)CC(C)(C)CN)c1.
What is the InChIKey of N',2,2-trimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine?
The InChIKey is IMCUPHXLHVLCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-9-5-10(14-13-6-9)15(4)8-11(2,3)7-12/h5-6H,7-8,12H2,1-4H3.
What are the key properties of N',2,2-trimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine?
N',2,2-trimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine is sourced from PubChem (CID 106550223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).