3,6-dimethyl-N-pentylpyrazin-2-amine

C11H19N3 — CID 60631563

IUPAC3,6-dimethyl-N-pentylpyrazin-2-amine
SMILESCCCCCNc1nc(C)cnc1C
InChIInChI=1S/C11H19N3/c1-4-5-6-7-12-11-10(3)13-8-9(2)14-11/h8H,4-7H2,1-3H3,(H,12,14)
InChIKeyLDVZOCUPGIYFGM-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.70
Rot. Bonds5

About 3,6-dimethyl-N-pentylpyrazin-2-amine

3,6-dimethyl-N-pentylpyrazin-2-amine (PubChem CID 60631563) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3,6-dimethyl-N-pentylpyrazin-2-amine.

Molecular Properties

Compound Name3,6-dimethyl-N-pentylpyrazin-2-amine
PubChem CID60631563
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3,6-dimethyl-N-pentylpyrazin-2-amine
SMILESCCCCCNc1nc(C)cnc1C
InChIInChI=1S/C11H19N3/c1-4-5-6-7-12-11-10(3)13-8-9(2)14-11/h8H,4-7H2,1-3H3,(H,12,14)
InChIKeyLDVZOCUPGIYFGM-UHFFFAOYSA-N
XLogP2.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,6-dimethylpyrazin-2-yl)-N-ethylpropane-1,3-diamine
CID 61019786
N-(4-chloropentyl)-3,6-dimethylpyrazin-2-amine
CID 106124735
N'-(3,6-dimethylpyrazin-2-yl)-N-methylethane-1,2-diamine
CID 62659686
N-(3,6-dimethylpyrazin-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 114134141
3,6-dimethyl-N-[3-(4-methylphenoxy)propyl]pyrazin-2-amine
CID 133469573
N,N-dihexyl-3,6-dimethylpyrazin-2-amine
CID 518224
N-(4-imidazol-1-ylbutyl)-3,6-dimethylpyrazin-2-amine
CID 65416898
N,N-dibutyl-3,6-dimethylpyrazin-2-amine
CID 518401
N-(3,6-dimethylpyrazin-2-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 60631387
3,6-dimethyl-N-octan-2-ylpyrazin-2-amine
CID 65417975
3,6-dimethyl-N-(2-phenylethyl)pyrazin-2-amine
CID 60631499
3,6-dimethyl-N-octan-4-ylpyrazin-2-amine
CID 114138448

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-pentylpyrazin-2-amine?
The IUPAC name of 3,6-dimethyl-N-pentylpyrazin-2-amine (CID 60631563) is 3,6-dimethyl-N-pentylpyrazin-2-amine.
What is the SMILES notation for 3,6-dimethyl-N-pentylpyrazin-2-amine?
The canonical SMILES for 3,6-dimethyl-N-pentylpyrazin-2-amine is CCCCCNc1nc(C)cnc1C.
What is the InChIKey of 3,6-dimethyl-N-pentylpyrazin-2-amine?
The InChIKey is LDVZOCUPGIYFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-5-6-7-12-11-10(3)13-8-9(2)14-11/h8H,4-7H2,1-3H3,(H,12,14).
What are the key properties of 3,6-dimethyl-N-pentylpyrazin-2-amine?
3,6-dimethyl-N-pentylpyrazin-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-pentylpyrazin-2-amine is sourced from PubChem (CID 60631563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).