4-methyl-1-N-(6-methylpyridazin-3-yl)pentane-1,2-diamine

C11H20N4 — CID 107159382

IUPAC4-methyl-1-N-(6-methylpyridazin-3-yl)pentane-1,2-diamine
SMILESCc1ccc(NCC(N)CC(C)C)nn1
InChIInChI=1S/C11H20N4/c1-8(2)6-10(12)7-13-11-5-4-9(3)14-15-11/h4-5,8,10H,6-7,12H2,1-3H3,(H,13,15)
InChIKeySGDWIISEWVEZJS-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.57
Rot. Bonds5

About 4-methyl-1-N-(6-methylpyridazin-3-yl)pentane-1,2-diamine

4-methyl-1-N-(6-methylpyridazin-3-yl)pentane-1,2-diamine (PubChem CID 107159382) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-methyl-1-N-(6-methylpyridazin-3-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name4-methyl-1-N-(6-methylpyridazin-3-yl)pentane-1,2-diamine
PubChem CID107159382
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-methyl-1-N-(6-methylpyridazin-3-yl)pentane-1,2-diamine
SMILESCc1ccc(NCC(N)CC(C)C)nn1
InChIInChI=1S/C11H20N4/c1-8(2)6-10(12)7-13-11-5-4-9(3)14-15-11/h4-5,8,10H,6-7,12H2,1-3H3,(H,13,15)
InChIKeySGDWIISEWVEZJS-UHFFFAOYSA-N
XLogP1.57
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N-(6-methylpyridazin-3-yl)pentane-1,2-diamine?
The IUPAC name of 4-methyl-1-N-(6-methylpyridazin-3-yl)pentane-1,2-diamine (CID 107159382) is 4-methyl-1-N-(6-methylpyridazin-3-yl)pentane-1,2-diamine.
What is the SMILES notation for 4-methyl-1-N-(6-methylpyridazin-3-yl)pentane-1,2-diamine?
The canonical SMILES for 4-methyl-1-N-(6-methylpyridazin-3-yl)pentane-1,2-diamine is Cc1ccc(NCC(N)CC(C)C)nn1.
What is the InChIKey of 4-methyl-1-N-(6-methylpyridazin-3-yl)pentane-1,2-diamine?
The InChIKey is SGDWIISEWVEZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-8(2)6-10(12)7-13-11-5-4-9(3)14-15-11/h4-5,8,10H,6-7,12H2,1-3H3,(H,13,15).
What are the key properties of 4-methyl-1-N-(6-methylpyridazin-3-yl)pentane-1,2-diamine?
4-methyl-1-N-(6-methylpyridazin-3-yl)pentane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-(6-methylpyridazin-3-yl)pentane-1,2-diamine is sourced from PubChem (CID 107159382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).