N'-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine

C13H24N4 — CID 62591431

IUPACN'-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCc1cnc(C)c(N(C)CCNCC(C)C)n1
InChIInChI=1S/C13H24N4/c1-10(2)8-14-6-7-17(5)13-12(4)15-9-11(3)16-13/h9-10,14H,6-8H2,1-5H3
InChIKeyMDPURLYKZDHVLL-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.78
Rot. Bonds6

About N'-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine

N'-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 62591431) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID62591431
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN'-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCc1cnc(C)c(N(C)CCNCC(C)C)n1
InChIInChI=1S/C13H24N4/c1-10(2)8-14-6-7-17(5)13-12(4)15-9-11(3)16-13/h9-10,14H,6-8H2,1-5H3
InChIKeyMDPURLYKZDHVLL-UHFFFAOYSA-N
XLogP1.78
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.78
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

4-[(3,6-dimethylpyrazin-2-yl)-methylamino]butan-2-ol
CID 104695546
5-[(3,6-dimethylpyrazin-2-yl)-methylamino]pentan-1-ol
CID 107203507
N'-(5-bromopyrimidin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 63873230
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 114838298
N'-methyl-N-(2-methylpropyl)-N'-(5-methylpyridazin-3-yl)ethane-1,2-diamine
CID 106550541
N,3,6-trimethyl-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
CID 133468986
N'-methyl-N-(2-methylpropyl)-N'-pyridin-4-ylethane-1,2-diamine
CID 62593206
2-N-(3,6-dimethylpyrazin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82937408
N'-methyl-N-(2-methylpropyl)-N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 64585882
1-N-(3,6-dimethylpyrazin-2-yl)-3-methoxy-1-N-methylpropane-1,2-diamine
CID 63761007
N',N'-dimethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 16772870
N'-methyl-N-(2-methylpropyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 79267629

Frequently Asked Questions

What is the IUPAC name of N'-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine (CID 62591431) is N'-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine is Cc1cnc(C)c(N(C)CCNCC(C)C)n1.
What is the InChIKey of N'-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is MDPURLYKZDHVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10(2)8-14-6-7-17(5)13-12(4)15-9-11(3)16-13/h9-10,14H,6-8H2,1-5H3.
What are the key properties of N'-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
N'-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 62591431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).