N-(5,5-dimethylhexyl)-6-methylpyrazin-2-amine

C13H23N3 — CID 133470236

IUPACN-(5,5-dimethylhexyl)-6-methylpyrazin-2-amine
SMILESCc1cncc(NCCCCC(C)(C)C)n1
InChIInChI=1S/C13H23N3/c1-11-9-14-10-12(16-11)15-8-6-5-7-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKeyZWZBDTRMOUDGJL-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.41
Rot. Bonds5

About N-(5,5-dimethylhexyl)-6-methylpyrazin-2-amine

N-(5,5-dimethylhexyl)-6-methylpyrazin-2-amine (PubChem CID 133470236) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(5,5-dimethylhexyl)-6-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-(5,5-dimethylhexyl)-6-methylpyrazin-2-amine
PubChem CID133470236
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-(5,5-dimethylhexyl)-6-methylpyrazin-2-amine
SMILESCc1cncc(NCCCCC(C)(C)C)n1
InChIInChI=1S/C13H23N3/c1-11-9-14-10-12(16-11)15-8-6-5-7-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKeyZWZBDTRMOUDGJL-UHFFFAOYSA-N
XLogP3.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5,5-dimethylhexyl)-6-methylpyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(3,3-dimethylbutyl)pyrazine-2,6-diamine
CID 115599185
N-(3-fluorobutyl)-6-methylpyrazin-2-amine
CID 130835221
N-[2-[(6-methylpyrazin-2-yl)amino]ethyl]acetamide
CID 126990889
N-[3-(4-fluorophenoxy)propyl]-6-methylpyrazin-2-amine
CID 133469091
2-(3,3-dimethylbutyl)-6-methylpyrazine
CID 142360846
1-(4-tert-butylphenyl)-2-[(6-methylpyrazin-2-yl)amino]ethanol
CID 133471375
1-[(6-methylpyrazin-2-yl)amino]-2-phenylpropan-2-ol
CID 133471209
N-(15,15-dimethylhexadecyl)pyridin-4-amine
CID 173437597
N-[2-(2,4-difluorophenyl)ethyl]-6-methylpyrazin-2-amine
CID 133471001
N-[(2,2-dimethylcyclopropyl)methyl]-6-methylpyrazin-2-amine
CID 131070929
N-[4-[2-[(6-methylpyrazin-2-yl)amino]ethyl]phenyl]acetamide
CID 133470212
6-methyl-N-[2-(4-propylphenoxy)ethyl]pyrazin-2-amine
CID 134706585

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylhexyl)-6-methylpyrazin-2-amine?
The IUPAC name of N-(5,5-dimethylhexyl)-6-methylpyrazin-2-amine (CID 133470236) is N-(5,5-dimethylhexyl)-6-methylpyrazin-2-amine.
What is the SMILES notation for N-(5,5-dimethylhexyl)-6-methylpyrazin-2-amine?
The canonical SMILES for N-(5,5-dimethylhexyl)-6-methylpyrazin-2-amine is Cc1cncc(NCCCCC(C)(C)C)n1.
What is the InChIKey of N-(5,5-dimethylhexyl)-6-methylpyrazin-2-amine?
The InChIKey is ZWZBDTRMOUDGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11-9-14-10-12(16-11)15-8-6-5-7-13(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,16).
What are the key properties of N-(5,5-dimethylhexyl)-6-methylpyrazin-2-amine?
N-(5,5-dimethylhexyl)-6-methylpyrazin-2-amine has a molecular weight of 221.35 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylhexyl)-6-methylpyrazin-2-amine is sourced from PubChem (CID 133470236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).