N-[1-(aminomethyl)-2-methylcyclohexyl]quinoxalin-2-amine

C16H22N4 — CID 115309074

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]quinoxalin-2-amine
SMILESCC1CCCCC1(CN)Nc1cnc2ccccc2n1
InChIInChI=1S/C16H22N4/c1-12-6-4-5-9-16(12,11-17)20-15-10-18-13-7-2-3-8-14(13)19-15/h2-3,7-8,10,12H,4-6,9,11,17H2,1H3,(H,19,20)
InChIKeyCPGZIHCFHCBOCN-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.95
Rot. Bonds3

About N-[1-(aminomethyl)-2-methylcyclohexyl]quinoxalin-2-amine

N-[1-(aminomethyl)-2-methylcyclohexyl]quinoxalin-2-amine (PubChem CID 115309074) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]quinoxalin-2-amine
PubChem CID115309074
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]quinoxalin-2-amine
SMILESCC1CCCCC1(CN)Nc1cnc2ccccc2n1
InChIInChI=1S/C16H22N4/c1-12-6-4-5-9-16(12,11-17)20-15-10-18-13-7-2-3-8-14(13)19-15/h2-3,7-8,10,12H,4-6,9,11,17H2,1H3,(H,19,20)
InChIKeyCPGZIHCFHCBOCN-UHFFFAOYSA-N
XLogP2.95
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]quinoxalin-2-amine?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]quinoxalin-2-amine (CID 115309074) is N-[1-(aminomethyl)-2-methylcyclohexyl]quinoxalin-2-amine.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]quinoxalin-2-amine?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]quinoxalin-2-amine is CC1CCCCC1(CN)Nc1cnc2ccccc2n1.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]quinoxalin-2-amine?
The InChIKey is CPGZIHCFHCBOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-12-6-4-5-9-16(12,11-17)20-15-10-18-13-7-2-3-8-14(13)19-15/h2-3,7-8,10,12H,4-6,9,11,17H2,1H3,(H,19,20).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]quinoxalin-2-amine?
N-[1-(aminomethyl)-2-methylcyclohexyl]quinoxalin-2-amine has a molecular weight of 270.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]quinoxalin-2-amine is sourced from PubChem (CID 115309074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).