N'-methyl-N-(2-methylpropyl)-N'-(5-methylpyridazin-3-yl)ethane-1,2-diamine

C12H22N4 — CID 106550541

IUPACN'-methyl-N-(2-methylpropyl)-N'-(5-methylpyridazin-3-yl)ethane-1,2-diamine
SMILESCc1cnnc(N(C)CCNCC(C)C)c1
InChIInChI=1S/C12H22N4/c1-10(2)8-13-5-6-16(4)12-7-11(3)9-14-15-12/h7,9-10,13H,5-6,8H2,1-4H3
InChIKeyURXXGBLGBMFHDV-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.47
Rot. Bonds6

About N'-methyl-N-(2-methylpropyl)-N'-(5-methylpyridazin-3-yl)ethane-1,2-diamine

N'-methyl-N-(2-methylpropyl)-N'-(5-methylpyridazin-3-yl)ethane-1,2-diamine (PubChem CID 106550541) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N'-methyl-N-(2-methylpropyl)-N'-(5-methylpyridazin-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(2-methylpropyl)-N'-(5-methylpyridazin-3-yl)ethane-1,2-diamine
PubChem CID106550541
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN'-methyl-N-(2-methylpropyl)-N'-(5-methylpyridazin-3-yl)ethane-1,2-diamine
SMILESCc1cnnc(N(C)CCNCC(C)C)c1
InChIInChI=1S/C12H22N4/c1-10(2)8-13-5-6-16(4)12-7-11(3)9-14-15-12/h7,9-10,13H,5-6,8H2,1-4H3
InChIKeyURXXGBLGBMFHDV-UHFFFAOYSA-N
XLogP1.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-cinnolin-4-yl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 63587139
N'-(5-bromopyrimidin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 63873230
N'-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62591431
N'-methyl-N-(2-methylpropyl)-N'-pyridin-4-ylethane-1,2-diamine
CID 62593206
N',2,2-trimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106550223
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 114838298
N',N'-dimethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 16772870
2-methyl-N-[2-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 115375189
3-[methyl-(5-methylpyridazin-3-yl)amino]butanethioamide
CID 106549306
N-(2-methylpropyl)-N',N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 101082542
N'-methyl-N-(2-methylpropyl)-N'-(2-methylsulfonylphenyl)ethane-1,2-diamine
CID 62593915
N'-chloro-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 89066515

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-(5-methylpyridazin-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-(5-methylpyridazin-3-yl)ethane-1,2-diamine (CID 106550541) is N'-methyl-N-(2-methylpropyl)-N'-(5-methylpyridazin-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(2-methylpropyl)-N'-(5-methylpyridazin-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(2-methylpropyl)-N'-(5-methylpyridazin-3-yl)ethane-1,2-diamine is Cc1cnnc(N(C)CCNCC(C)C)c1.
What is the InChIKey of N'-methyl-N-(2-methylpropyl)-N'-(5-methylpyridazin-3-yl)ethane-1,2-diamine?
The InChIKey is URXXGBLGBMFHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(2)8-13-5-6-16(4)12-7-11(3)9-14-15-12/h7,9-10,13H,5-6,8H2,1-4H3.
What are the key properties of N'-methyl-N-(2-methylpropyl)-N'-(5-methylpyridazin-3-yl)ethane-1,2-diamine?
N'-methyl-N-(2-methylpropyl)-N'-(5-methylpyridazin-3-yl)ethane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylpropyl)-N'-(5-methylpyridazin-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 106550541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).