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

C12H20N4 — CID 79111022

IUPAC1-N-methyl-4-N-(6-methylpyridazin-3-yl)cyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2ccc(C)nn2)CC1
InChIInChI=1S/C12H20N4/c1-9-3-8-12(16-15-9)14-11-6-4-10(13-2)5-7-11/h3,8,10-11,13H,4-7H2,1-2H3,(H,14,16)
InChIKeyWNMPKCLOABDYBS-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.73
Rot. Bonds3

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

1-N-methyl-4-N-(6-methylpyridazin-3-yl)cyclohexane-1,4-diamine (PubChem CID 79111022) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-N-methyl-4-N-(6-methylpyridazin-3-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N-(6-methylpyridazin-3-yl)cyclohexane-1,4-diamine
PubChem CID79111022
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-N-methyl-4-N-(6-methylpyridazin-3-yl)cyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2ccc(C)nn2)CC1
InChIInChI=1S/C12H20N4/c1-9-3-8-12(16-15-9)14-11-6-4-10(13-2)5-7-11/h3,8,10-11,13H,4-7H2,1-2H3,(H,14,16)
InChIKeyWNMPKCLOABDYBS-UHFFFAOYSA-N
XLogP1.73
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-(6-methylpyridazin-3-yl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N-(6-methylpyridazin-3-yl)cyclohexane-1,4-diamine (CID 79111022) is 1-N-methyl-4-N-(6-methylpyridazin-3-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N-(6-methylpyridazin-3-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N-(6-methylpyridazin-3-yl)cyclohexane-1,4-diamine is CNC1CCC(Nc2ccc(C)nn2)CC1.
What is the InChIKey of 1-N-methyl-4-N-(6-methylpyridazin-3-yl)cyclohexane-1,4-diamine?
The InChIKey is WNMPKCLOABDYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9-3-8-12(16-15-9)14-11-6-4-10(13-2)5-7-11/h3,8,10-11,13H,4-7H2,1-2H3,(H,14,16).
What are the key properties of 1-N-methyl-4-N-(6-methylpyridazin-3-yl)cyclohexane-1,4-diamine?
1-N-methyl-4-N-(6-methylpyridazin-3-yl)cyclohexane-1,4-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-(6-methylpyridazin-3-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79111022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).