N-(3,5-dimethylcyclohexyl)-3-methylquinoxalin-2-amine

C17H23N3 — CID 64731715

IUPACN-(3,5-dimethylcyclohexyl)-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NC1CC(C)CC(C)C1
InChIInChI=1S/C17H23N3/c1-11-8-12(2)10-14(9-11)19-17-13(3)18-15-6-4-5-7-16(15)20-17/h4-7,11-12,14H,8-10H2,1-3H3,(H,19,20)
InChIKeyIJUIURQEEFGUHR-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.17
Rot. Bonds2

About N-(3,5-dimethylcyclohexyl)-3-methylquinoxalin-2-amine

N-(3,5-dimethylcyclohexyl)-3-methylquinoxalin-2-amine (PubChem CID 64731715) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-3-methylquinoxalin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-3-methylquinoxalin-2-amine
PubChem CID64731715
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-(3,5-dimethylcyclohexyl)-3-methylquinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NC1CC(C)CC(C)C1
InChIInChI=1S/C17H23N3/c1-11-8-12(2)10-14(9-11)19-17-13(3)18-15-6-4-5-7-16(15)20-17/h4-7,11-12,14H,8-10H2,1-3H3,(H,19,20)
InChIKeyIJUIURQEEFGUHR-UHFFFAOYSA-N
XLogP4.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-3-methylquinoxalin-2-amine?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-3-methylquinoxalin-2-amine (CID 64731715) is N-(3,5-dimethylcyclohexyl)-3-methylquinoxalin-2-amine.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-3-methylquinoxalin-2-amine?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-3-methylquinoxalin-2-amine is Cc1nc2ccccc2nc1NC1CC(C)CC(C)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-3-methylquinoxalin-2-amine?
The InChIKey is IJUIURQEEFGUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-11-8-12(2)10-14(9-11)19-17-13(3)18-15-6-4-5-7-16(15)20-17/h4-7,11-12,14H,8-10H2,1-3H3,(H,19,20).
What are the key properties of N-(3,5-dimethylcyclohexyl)-3-methylquinoxalin-2-amine?
N-(3,5-dimethylcyclohexyl)-3-methylquinoxalin-2-amine has a molecular weight of 269.39 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-3-methylquinoxalin-2-amine is sourced from PubChem (CID 64731715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).