3-methyl-N-(7-methyloctyl)quinoxalin-2-amine

C18H27N3 — CID 107816078

IUPAC3-methyl-N-(7-methyloctyl)quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCCCCCCC(C)C
InChIInChI=1S/C18H27N3/c1-14(2)10-6-4-5-9-13-19-18-15(3)20-16-11-7-8-12-17(16)21-18/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,19,21)
InChIKeyVPVICASHJCLMDJ-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.96
Rot. Bonds8

About 3-methyl-N-(7-methyloctyl)quinoxalin-2-amine

3-methyl-N-(7-methyloctyl)quinoxalin-2-amine (PubChem CID 107816078) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 3-methyl-N-(7-methyloctyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-methyl-N-(7-methyloctyl)quinoxalin-2-amine
PubChem CID107816078
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC Name3-methyl-N-(7-methyloctyl)quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCCCCCCC(C)C
InChIInChI=1S/C18H27N3/c1-14(2)10-6-4-5-9-13-19-18-15(3)20-16-11-7-8-12-17(16)21-18/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,19,21)
InChIKeyVPVICASHJCLMDJ-UHFFFAOYSA-N
XLogP4.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-N-(7-methyloctyl)quinoxalin-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

3-methyl-N-(7-methyloctyl)quinolin-2-amine
CID 107816294
N-(4-chlorobutyl)-3-methylquinoxalin-2-amine
CID 106845037
3-methyl-N-(5-methylsulfanylpentyl)quinoxalin-2-amine
CID 104925450
3-methyl-N-pent-4-ynylquinoxalin-2-amine
CID 103704423
N-(3-cyclopropylpropyl)-3-methylquinoxalin-2-amine
CID 113238855
4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831388
N-(7-methyloctyl)-1,3-benzothiazol-2-amine
CID 103603190
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)quinoxalin-2-amine
CID 102913999
N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
CID 18549044
N-(7-methyloctyl)-1,3-benzoxazol-2-amine
CID 107816169
N-(7-methyloctyl)phthalazin-1-amine
CID 107816205
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylquinoxalin-2-amine
CID 133347501

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(7-methyloctyl)quinoxalin-2-amine?
The IUPAC name of 3-methyl-N-(7-methyloctyl)quinoxalin-2-amine (CID 107816078) is 3-methyl-N-(7-methyloctyl)quinoxalin-2-amine.
What is the SMILES notation for 3-methyl-N-(7-methyloctyl)quinoxalin-2-amine?
The canonical SMILES for 3-methyl-N-(7-methyloctyl)quinoxalin-2-amine is Cc1nc2ccccc2nc1NCCCCCCC(C)C.
What is the InChIKey of 3-methyl-N-(7-methyloctyl)quinoxalin-2-amine?
The InChIKey is VPVICASHJCLMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-14(2)10-6-4-5-9-13-19-18-15(3)20-16-11-7-8-12-17(16)21-18/h7-8,11-12,14H,4-6,9-10,13H2,1-3H3,(H,19,21).
What are the key properties of 3-methyl-N-(7-methyloctyl)quinoxalin-2-amine?
3-methyl-N-(7-methyloctyl)quinoxalin-2-amine has a molecular weight of 285.43 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(7-methyloctyl)quinoxalin-2-amine is sourced from PubChem (CID 107816078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).