[2-(aminomethyl)cyclohexyl]-pyrazin-2-ylmethanone

C12H17N3O — CID 116584640

IUPAC[2-(aminomethyl)cyclohexyl]-pyrazin-2-ylmethanone
SMILESNCC1CCCCC1C(=O)c1cnccn1
InChIInChI=1S/C12H17N3O/c13-7-9-3-1-2-4-10(9)12(16)11-8-14-5-6-15-11/h5-6,8-10H,1-4,7,13H2
InChIKeyBEMLHAUIJGQYMZ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.42
Rot. Bonds3

About [2-(aminomethyl)cyclohexyl]-pyrazin-2-ylmethanone

[2-(aminomethyl)cyclohexyl]-pyrazin-2-ylmethanone (PubChem CID 116584640) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is [2-(aminomethyl)cyclohexyl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-(aminomethyl)cyclohexyl]-pyrazin-2-ylmethanone
PubChem CID116584640
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name[2-(aminomethyl)cyclohexyl]-pyrazin-2-ylmethanone
SMILESNCC1CCCCC1C(=O)c1cnccn1
InChIInChI=1S/C12H17N3O/c13-7-9-3-1-2-4-10(9)12(16)11-8-14-5-6-15-11/h5-6,8-10H,1-4,7,13H2
InChIKeyBEMLHAUIJGQYMZ-UHFFFAOYSA-N
XLogP1.42
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]pyrazine-2-carboxamide;dihydrochloride
CID 119611743
[2-(aminomethyl)cyclohexyl]-(2-amino-3-pyridinyl)methanone
CID 116584732
(2-pyrazin-2-ylcyclohexyl)methanamine
CID 81010683
2-cyclopentyl-1-pyrazin-2-ylethanone
CID 62622099
(4-methylcyclohexyl)-pyrazin-2-ylmethanone
CID 63969012
(3-methylpiperidin-4-yl)-pyrazin-2-ylmethanone
CID 130516301
(9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-yl)-pyrazin-2-ylmethanone
CID 171937495
2-(aminomethyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 114955964
(4,4-dimethylcyclohexyl)-pyrazin-2-ylmethanone
CID 65390403
2-[4-(aminomethyl)piperidin-1-yl]-1-pyrazin-2-ylethanone;hydrochloride
CID 71644829
1-[2-(aminomethyl)cyclopentyl]-2-(1,3-thiazol-2-yl)ethanone
CID 116584260
bis(pyrazine-2-carboxamide);1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139203790

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclohexyl]-pyrazin-2-ylmethanone?
The IUPAC name of [2-(aminomethyl)cyclohexyl]-pyrazin-2-ylmethanone (CID 116584640) is [2-(aminomethyl)cyclohexyl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-(aminomethyl)cyclohexyl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-(aminomethyl)cyclohexyl]-pyrazin-2-ylmethanone is NCC1CCCCC1C(=O)c1cnccn1.
What is the InChIKey of [2-(aminomethyl)cyclohexyl]-pyrazin-2-ylmethanone?
The InChIKey is BEMLHAUIJGQYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-7-9-3-1-2-4-10(9)12(16)11-8-14-5-6-15-11/h5-6,8-10H,1-4,7,13H2.
What are the key properties of [2-(aminomethyl)cyclohexyl]-pyrazin-2-ylmethanone?
[2-(aminomethyl)cyclohexyl]-pyrazin-2-ylmethanone has a molecular weight of 219.29 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclohexyl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 116584640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).