N-heptan-2-yl-5,6-dimethylpyrazin-2-amine

C13H23N3 — CID 114475537

IUPACN-heptan-2-yl-5,6-dimethylpyrazin-2-amine
SMILESCCCCCC(C)Nc1cnc(C)c(C)n1
InChIInChI=1S/C13H23N3/c1-5-6-7-8-10(2)15-13-9-14-11(3)12(4)16-13/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKeyIBKJMBCXXKWKRJ-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.47
Rot. Bonds6

About N-heptan-2-yl-5,6-dimethylpyrazin-2-amine

N-heptan-2-yl-5,6-dimethylpyrazin-2-amine (PubChem CID 114475537) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-heptan-2-yl-5,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-heptan-2-yl-5,6-dimethylpyrazin-2-amine
PubChem CID114475537
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-heptan-2-yl-5,6-dimethylpyrazin-2-amine
SMILESCCCCCC(C)Nc1cnc(C)c(C)n1
InChIInChI=1S/C13H23N3/c1-5-6-7-8-10(2)15-13-9-14-11(3)12(4)16-13/h9-10H,5-8H2,1-4H3,(H,15,16)
InChIKeyIBKJMBCXXKWKRJ-UHFFFAOYSA-N
XLogP3.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-heptan-2-yl-5,6-dimethylpyrazin-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

5,6-dimethyl-N-(6-methylheptan-2-yl)pyrazin-2-amine
CID 114475549
3,6-dimethyl-N-octan-2-ylpyrazin-2-amine
CID 65417975
5,6-dimethyl-N-(2-methylpentan-3-yl)pyrazin-2-amine
CID 114475547
3-[(5,6-dimethylpyrazin-2-yl)amino]butanoic acid
CID 114474267
N-heptan-2-yl-5-methylpyridazin-3-amine
CID 106549626
4-N-heptan-2-ylpyrimidine-2,4-diamine
CID 80803742
2-[(5,6-dimethylpyrazin-2-yl)amino]-3-methylbutan-1-ol
CID 114475973
4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80803176
2-chloro-5-methyl-N-octan-2-ylpyrimidin-4-amine
CID 79076093
6-fluoro-N-heptan-2-ylpyridin-2-amine
CID 61466659
6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine
CID 80803403
6-N-octan-2-ylpyridine-2,6-diamine
CID 80648074

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-5,6-dimethylpyrazin-2-amine?
The IUPAC name of N-heptan-2-yl-5,6-dimethylpyrazin-2-amine (CID 114475537) is N-heptan-2-yl-5,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-heptan-2-yl-5,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-heptan-2-yl-5,6-dimethylpyrazin-2-amine is CCCCCC(C)Nc1cnc(C)c(C)n1.
What is the InChIKey of N-heptan-2-yl-5,6-dimethylpyrazin-2-amine?
The InChIKey is IBKJMBCXXKWKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-6-7-8-10(2)15-13-9-14-11(3)12(4)16-13/h9-10H,5-8H2,1-4H3,(H,15,16).
What are the key properties of N-heptan-2-yl-5,6-dimethylpyrazin-2-amine?
N-heptan-2-yl-5,6-dimethylpyrazin-2-amine has a molecular weight of 221.35 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-5,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 114475537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).