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

C13H23N3 — CID 105124976

IUPAC1-(5-methylpyrazin-2-yl)octan-1-amine
SMILESCCCCCCCC(N)c1cnc(C)cn1
InChIInChI=1S/C13H23N3/c1-3-4-5-6-7-8-12(14)13-10-15-11(2)9-16-13/h9-10,12H,3-8,14H2,1-2H3
InChIKeyBHQLKFCQPFVROX-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.15
Rot. Bonds7

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

1-(5-methylpyrazin-2-yl)octan-1-amine (PubChem CID 105124976) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(5-methylpyrazin-2-yl)octan-1-amine.

Molecular Properties

Compound Name1-(5-methylpyrazin-2-yl)octan-1-amine
PubChem CID105124976
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(5-methylpyrazin-2-yl)octan-1-amine
SMILESCCCCCCCC(N)c1cnc(C)cn1
InChIInChI=1S/C13H23N3/c1-3-4-5-6-7-8-12(14)13-10-15-11(2)9-16-13/h9-10,12H,3-8,14H2,1-2H3
InChIKeyBHQLKFCQPFVROX-UHFFFAOYSA-N
XLogP3.15
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.15
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)hexan-1-amine
CID 105129918
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
1-(5-fluoro-2-pyridinyl)tridecan-1-amine
CID 79705681
1-(1-methylimidazol-4-yl)nonan-1-amine
CID 107974313
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-(trifluoromethyl)-2-pyridinyl]decan-1-amine
CID 105124478
1-[5-(trifluoromethyl)-2-pyridinyl]octan-1-amine
CID 105125097
N-methyl-1-(5-methylpyrazin-2-yl)pentan-1-amine
CID 105125302

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpyrazin-2-yl)octan-1-amine?
The IUPAC name of 1-(5-methylpyrazin-2-yl)octan-1-amine (CID 105124976) is 1-(5-methylpyrazin-2-yl)octan-1-amine.
What is the SMILES notation for 1-(5-methylpyrazin-2-yl)octan-1-amine?
The canonical SMILES for 1-(5-methylpyrazin-2-yl)octan-1-amine is CCCCCCCC(N)c1cnc(C)cn1.
What is the InChIKey of 1-(5-methylpyrazin-2-yl)octan-1-amine?
The InChIKey is BHQLKFCQPFVROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-4-5-6-7-8-12(14)13-10-15-11(2)9-16-13/h9-10,12H,3-8,14H2,1-2H3.
What are the key properties of 1-(5-methylpyrazin-2-yl)octan-1-amine?
1-(5-methylpyrazin-2-yl)octan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 3.15, 7 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)octan-1-amine is sourced from PubChem (CID 105124976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).