N-[cyclooctyl(pyrazin-2-yl)methyl]propan-1-amine

C16H27N3 — CID 80611076

IUPACN-[cyclooctyl(pyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnccn1)C1CCCCCCC1
InChIInChI=1S/C16H27N3/c1-2-10-19-16(15-13-17-11-12-18-15)14-8-6-4-3-5-7-9-14/h11-14,16,19H,2-10H2,1H3
InChIKeyOXMBYQCGWAEOGH-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.88
Rot. Bonds5

About N-[cyclooctyl(pyrazin-2-yl)methyl]propan-1-amine

N-[cyclooctyl(pyrazin-2-yl)methyl]propan-1-amine (PubChem CID 80611076) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[cyclooctyl(pyrazin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclooctyl(pyrazin-2-yl)methyl]propan-1-amine
PubChem CID80611076
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[cyclooctyl(pyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnccn1)C1CCCCCCC1
InChIInChI=1S/C16H27N3/c1-2-10-19-16(15-13-17-11-12-18-15)14-8-6-4-3-5-7-9-14/h11-14,16,19H,2-10H2,1H3
InChIKeyOXMBYQCGWAEOGH-UHFFFAOYSA-N
XLogP3.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-methyl-1-pyrazin-2-ylmethanamine
CID 60818557
2-cyclopropyl-N-propyl-1-pyrazin-2-ylpropan-1-amine
CID 115860641
N-[cyclopentyl(pyrimidin-4-yl)methyl]propan-1-amine
CID 63990209
N-[cycloheptyl-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 82932311
N-[(3-methylcyclopentyl)-pyrazin-2-ylmethyl]ethanamine
CID 65413779
N-[cyclohexyl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 104515379
N-[(4-methylthiomorpholin-3-yl)-pyrazin-2-ylmethyl]propan-1-amine
CID 106445473
N-[pyrazin-2-yl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 115860548
N-[cyclopentyl(pyrazolo[1,5-a]pyrazin-3-yl)methyl]propan-1-amine
CID 103125844
N-[cycloheptyl-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 65399979
1-(4-ethylcyclohexyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 64775844
N-(2,2-difluoro-1-pyrazin-2-ylethyl)propan-1-amine
CID 103759753

Frequently Asked Questions

What is the IUPAC name of N-[cyclooctyl(pyrazin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclooctyl(pyrazin-2-yl)methyl]propan-1-amine (CID 80611076) is N-[cyclooctyl(pyrazin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclooctyl(pyrazin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclooctyl(pyrazin-2-yl)methyl]propan-1-amine is CCCNC(c1cnccn1)C1CCCCCCC1.
What is the InChIKey of N-[cyclooctyl(pyrazin-2-yl)methyl]propan-1-amine?
The InChIKey is OXMBYQCGWAEOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-2-10-19-16(15-13-17-11-12-18-15)14-8-6-4-3-5-7-9-14/h11-14,16,19H,2-10H2,1H3.
What are the key properties of N-[cyclooctyl(pyrazin-2-yl)methyl]propan-1-amine?
N-[cyclooctyl(pyrazin-2-yl)methyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclooctyl(pyrazin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 80611076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).