1-pyrazin-2-yltridecan-1-amine

C17H31N3 — CID 62601846

IUPAC1-pyrazin-2-yltridecan-1-amine
SMILESCCCCCCCCCCCCC(N)c1cnccn1
InChIInChI=1S/C17H31N3/c1-2-3-4-5-6-7-8-9-10-11-12-16(18)17-15-19-13-14-20-17/h13-16H,2-12,18H2,1H3
InChIKeyWAKMGDVTIPURDQ-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.79
Rot. Bonds12

About 1-pyrazin-2-yltridecan-1-amine

1-pyrazin-2-yltridecan-1-amine (PubChem CID 62601846) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-pyrazin-2-yltridecan-1-amine.

Molecular Properties

Compound Name1-pyrazin-2-yltridecan-1-amine
PubChem CID62601846
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-pyrazin-2-yltridecan-1-amine
SMILESCCCCCCCCCCCCC(N)c1cnccn1
InChIInChI=1S/C17H31N3/c1-2-3-4-5-6-7-8-9-10-11-12-16(18)17-15-19-13-14-20-17/h13-16H,2-12,18H2,1H3
InChIKeyWAKMGDVTIPURDQ-UHFFFAOYSA-N
XLogP4.79
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.79
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-pyrazin-2-ylnonan-1-amine
CID 62600507
1-pyrazin-2-yltridecylhydrazine
CID 105203302
1-(5-methylpyrazin-2-yl)octan-1-amine
CID 105124976
4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine
CID 63192450
1-pyrimidin-4-yldecan-1-amine
CID 63989976
1-(5-methylpyrazin-2-yl)hexan-1-amine
CID 105129918
1-(1-methylimidazol-4-yl)nonan-1-amine
CID 107974313
1-(5-fluoro-2-pyridinyl)tridecan-1-amine
CID 79705681
1-pyridin-4-ylnonan-1-amine
CID 62600271
(1S)-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine
CID 130039914
(1S)-1-pyridin-3-ylhexan-1-amine
CID 94506966
1-(3-chloro-4-pyridinyl)undecan-1-amine
CID 105138168

Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yltridecan-1-amine?
The IUPAC name of 1-pyrazin-2-yltridecan-1-amine (CID 62601846) is 1-pyrazin-2-yltridecan-1-amine.
What is the SMILES notation for 1-pyrazin-2-yltridecan-1-amine?
The canonical SMILES for 1-pyrazin-2-yltridecan-1-amine is CCCCCCCCCCCCC(N)c1cnccn1.
What is the InChIKey of 1-pyrazin-2-yltridecan-1-amine?
The InChIKey is WAKMGDVTIPURDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-2-3-4-5-6-7-8-9-10-11-12-16(18)17-15-19-13-14-20-17/h13-16H,2-12,18H2,1H3.
What are the key properties of 1-pyrazin-2-yltridecan-1-amine?
1-pyrazin-2-yltridecan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 4.79, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-yltridecan-1-amine is sourced from PubChem (CID 62601846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).