N-[3-(aminomethyl)cyclohexyl]-6-ethoxypyrazin-2-amine

C13H22N4O — CID 112753139

IUPACN-[3-(aminomethyl)cyclohexyl]-6-ethoxypyrazin-2-amine
SMILESCCOc1cncc(NC2CCCC(CN)C2)n1
InChIInChI=1S/C13H22N4O/c1-2-18-13-9-15-8-12(17-13)16-11-5-3-4-10(6-11)7-14/h8-11H,2-7,14H2,1H3,(H,16,17)
InChIKeyRQYODUUYJQVNON-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.80
Rot. Bonds5

About N-[3-(aminomethyl)cyclohexyl]-6-ethoxypyrazin-2-amine

N-[3-(aminomethyl)cyclohexyl]-6-ethoxypyrazin-2-amine (PubChem CID 112753139) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[3-(aminomethyl)cyclohexyl]-6-ethoxypyrazin-2-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)cyclohexyl]-6-ethoxypyrazin-2-amine
PubChem CID112753139
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[3-(aminomethyl)cyclohexyl]-6-ethoxypyrazin-2-amine
SMILESCCOc1cncc(NC2CCCC(CN)C2)n1
InChIInChI=1S/C13H22N4O/c1-2-18-13-9-15-8-12(17-13)16-11-5-3-4-10(6-11)7-14/h8-11H,2-7,14H2,1H3,(H,16,17)
InChIKeyRQYODUUYJQVNON-UHFFFAOYSA-N
XLogP1.80
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)cyclohexyl]-6-ethoxypyrazin-2-amine?
The IUPAC name of N-[3-(aminomethyl)cyclohexyl]-6-ethoxypyrazin-2-amine (CID 112753139) is N-[3-(aminomethyl)cyclohexyl]-6-ethoxypyrazin-2-amine.
What is the SMILES notation for N-[3-(aminomethyl)cyclohexyl]-6-ethoxypyrazin-2-amine?
The canonical SMILES for N-[3-(aminomethyl)cyclohexyl]-6-ethoxypyrazin-2-amine is CCOc1cncc(NC2CCCC(CN)C2)n1.
What is the InChIKey of N-[3-(aminomethyl)cyclohexyl]-6-ethoxypyrazin-2-amine?
The InChIKey is RQYODUUYJQVNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-18-13-9-15-8-12(17-13)16-11-5-3-4-10(6-11)7-14/h8-11H,2-7,14H2,1H3,(H,16,17).
What are the key properties of N-[3-(aminomethyl)cyclohexyl]-6-ethoxypyrazin-2-amine?
N-[3-(aminomethyl)cyclohexyl]-6-ethoxypyrazin-2-amine has a molecular weight of 250.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)cyclohexyl]-6-ethoxypyrazin-2-amine is sourced from PubChem (CID 112753139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).