1-(5-methylpyrazin-2-yl)hexan-1-amine

C11H19N3 — CID 105129918

IUPAC1-(5-methylpyrazin-2-yl)hexan-1-amine
SMILESCCCCCC(N)c1cnc(C)cn1
InChIInChI=1S/C11H19N3/c1-3-4-5-6-10(12)11-8-13-9(2)7-14-11/h7-8,10H,3-6,12H2,1-2H3
InChIKeySMVJZSVMDOHJFO-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.37
Rot. Bonds5

About 1-(5-methylpyrazin-2-yl)hexan-1-amine

1-(5-methylpyrazin-2-yl)hexan-1-amine (PubChem CID 105129918) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(5-methylpyrazin-2-yl)hexan-1-amine.

Molecular Properties

Compound Name1-(5-methylpyrazin-2-yl)hexan-1-amine
PubChem CID105129918
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-(5-methylpyrazin-2-yl)hexan-1-amine
SMILESCCCCCC(N)c1cnc(C)cn1
InChIInChI=1S/C11H19N3/c1-3-4-5-6-10(12)11-8-13-9(2)7-14-11/h7-8,10H,3-6,12H2,1-2H3
InChIKeySMVJZSVMDOHJFO-UHFFFAOYSA-N
XLogP2.37
TPSA51.80 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 ≤ 52.37
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

1-(5-methylpyrazin-2-yl)octan-1-amine
CID 105124976
N-methyl-1-(5-methylpyrazin-2-yl)decan-1-amine
CID 105124065
1-pyrazin-2-ylnonan-1-amine
CID 62600507
1-pyrazin-2-yltridecan-1-amine
CID 62601846
N-ethyl-1-(5-methylpyrazin-2-yl)decan-1-amine
CID 105124396
3-methyl-1-(5-methylpyrazin-2-yl)butan-1-amine
CID 105083357
(1S)-1-(5-methyl-2-pyridinyl)pentan-1-amine
CID 55275982
1-(5-fluoro-2-pyridinyl)tridecan-1-amine
CID 79705681
N-methyl-1-(5-methylpyrazin-2-yl)pentan-1-amine
CID 105125302
1-quinoxalin-2-ylhexan-1-amine
CID 107357026
1-(1-methylimidazol-4-yl)nonan-1-amine
CID 107974313
(1S)-1-(6-methyl-2-pyridinyl)hexan-1-amine;hydrochloride
CID 171230282

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpyrazin-2-yl)hexan-1-amine?
The IUPAC name of 1-(5-methylpyrazin-2-yl)hexan-1-amine (CID 105129918) is 1-(5-methylpyrazin-2-yl)hexan-1-amine.
What is the SMILES notation for 1-(5-methylpyrazin-2-yl)hexan-1-amine?
The canonical SMILES for 1-(5-methylpyrazin-2-yl)hexan-1-amine is CCCCCC(N)c1cnc(C)cn1.
What is the InChIKey of 1-(5-methylpyrazin-2-yl)hexan-1-amine?
The InChIKey is SMVJZSVMDOHJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-4-5-6-10(12)11-8-13-9(2)7-14-11/h7-8,10H,3-6,12H2,1-2H3.
What are the key properties of 1-(5-methylpyrazin-2-yl)hexan-1-amine?
1-(5-methylpyrazin-2-yl)hexan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpyrazin-2-yl)hexan-1-amine is sourced from PubChem (CID 105129918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).