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

C13H22N4 — CID 112753147

IUPACN-[3-(aminomethyl)cyclohexyl]-3,6-dimethylpyrazin-2-amine
SMILESCc1cnc(C)c(NC2CCCC(CN)C2)n1
InChIInChI=1S/C13H22N4/c1-9-8-15-10(2)13(16-9)17-12-5-3-4-11(6-12)7-14/h8,11-12H,3-7,14H2,1-2H3,(H,16,17)
InChIKeyGOHAYXWSQQLWOR-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.02
Rot. Bonds3

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

N-[3-(aminomethyl)cyclohexyl]-3,6-dimethylpyrazin-2-amine (PubChem CID 112753147) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[3-(aminomethyl)cyclohexyl]-3,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)cyclohexyl]-3,6-dimethylpyrazin-2-amine
PubChem CID112753147
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-[3-(aminomethyl)cyclohexyl]-3,6-dimethylpyrazin-2-amine
SMILESCc1cnc(C)c(NC2CCCC(CN)C2)n1
InChIInChI=1S/C13H22N4/c1-9-8-15-10(2)13(16-9)17-12-5-3-4-11(6-12)7-14/h8,11-12H,3-7,14H2,1-2H3,(H,16,17)
InChIKeyGOHAYXWSQQLWOR-UHFFFAOYSA-N
XLogP2.02
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-3,6-dimethylpyrazin-2-amine
CID 60631763
3,6-dimethyl-N-(2-methyloxan-4-yl)pyrazin-2-amine
CID 104695678
N-[3-(aminomethyl)cyclohexyl]-5-chloro-3-fluoropyridin-2-amine
CID 112753140
N-(2-chlorocyclohexyl)-3,6-dimethylpyrazin-2-amine
CID 65029238
trans-(1R,2R)-2-N-(3,6-dimethylpyrazin-2-yl)cyclohexane-1,2-diamine
CID 93453704
N-[3-(aminomethyl)cyclohexyl]-6-ethoxypyrazin-2-amine
CID 112753139
N-(2-methoxycyclopentyl)-3,6-dimethylpyrazin-2-amine
CID 65417548
2-[(3,6-dimethylpyrazin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 65416448
1-N-(3,6-dimethylpyrazin-2-yl)-2,2-dimethylcyclobutane-1,3-diamine
CID 114632747
2-N-ethyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-2,4-diamine
CID 80840988
2-tert-butyl-4-N-(3-ethylcyclohexyl)-5-methylpyrimidine-4,6-diamine
CID 80981629
N-(3-ethylcyclohexyl)-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80915739

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)cyclohexyl]-3,6-dimethylpyrazin-2-amine?
The IUPAC name of N-[3-(aminomethyl)cyclohexyl]-3,6-dimethylpyrazin-2-amine (CID 112753147) is N-[3-(aminomethyl)cyclohexyl]-3,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-[3-(aminomethyl)cyclohexyl]-3,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-[3-(aminomethyl)cyclohexyl]-3,6-dimethylpyrazin-2-amine is Cc1cnc(C)c(NC2CCCC(CN)C2)n1.
What is the InChIKey of N-[3-(aminomethyl)cyclohexyl]-3,6-dimethylpyrazin-2-amine?
The InChIKey is GOHAYXWSQQLWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9-8-15-10(2)13(16-9)17-12-5-3-4-11(6-12)7-14/h8,11-12H,3-7,14H2,1-2H3,(H,16,17).
What are the key properties of N-[3-(aminomethyl)cyclohexyl]-3,6-dimethylpyrazin-2-amine?
N-[3-(aminomethyl)cyclohexyl]-3,6-dimethylpyrazin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)cyclohexyl]-3,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 112753147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).