2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanamine

C12H17N3 — CID 116661377

IUPAC2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanamine
SMILESNC(CC1=CCCCC1)c1cnccn1
InChIInChI=1S/C12H17N3/c13-11(12-9-14-6-7-15-12)8-10-4-2-1-3-5-10/h4,6-7,9,11H,1-3,5,8,13H2
InChIKeyCLEHKLKVKYJAGO-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.37
Rot. Bonds3

About 2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanamine

2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanamine (PubChem CID 116661377) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanamine
PubChem CID116661377
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanamine
SMILESNC(CC1=CCCCC1)c1cnccn1
InChIInChI=1S/C12H17N3/c13-11(12-9-14-6-7-15-12)8-10-4-2-1-3-5-10/h4,6-7,9,11H,1-3,5,8,13H2
InChIKeyCLEHKLKVKYJAGO-UHFFFAOYSA-N
XLogP2.37
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanol
CID 116660155
3-[1-amino-2-(cyclohexen-1-yl)ethyl]pyridin-4-amine
CID 116661348
2-(cyclohexen-1-yl)-1-(1-ethylimidazol-2-yl)ethanamine
CID 116661175
(1S)-3,3-dimethyl-1-pyrazin-2-ylbutan-1-amine
CID 130039914
2-(cyclohexen-1-yl)-1-(5-propoxy-3-pyridinyl)ethanamine
CID 116661287
2-(1-methylpyrazol-4-yl)-1-pyrazin-2-ylethanamine
CID 62125921
2-(2-chlorophenyl)-1-pyrazin-2-ylethanamine
CID 60819170
2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethanamine
CID 104801176
2-(cyclohexen-1-yl)-1-(3-propyltriazol-4-yl)ethanamine
CID 114689134
1-(cyclohexen-1-yl)-3-(1-methylimidazol-2-yl)propan-2-amine
CID 116661214
2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)ethanamine
CID 116661110
2-(cyclopenten-1-yl)-1-phenylethanamine
CID 131037986

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanamine (CID 116661377) is 2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanamine is NC(CC1=CCCCC1)c1cnccn1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanamine?
The InChIKey is CLEHKLKVKYJAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c13-11(12-9-14-6-7-15-12)8-10-4-2-1-3-5-10/h4,6-7,9,11H,1-3,5,8,13H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanamine?
2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanamine has a molecular weight of 203.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-pyrazin-2-ylethanamine is sourced from PubChem (CID 116661377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).