N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propyl]cyclohexanamine

C18H29N3 — CID 63779165

IUPACN-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propyl]cyclohexanamine
SMILESCC(CNC1CCCCC1)N1CCN(C)c2ccccc21
InChIInChI=1S/C18H29N3/c1-15(14-19-16-8-4-3-5-9-16)21-13-12-20(2)17-10-6-7-11-18(17)21/h6-7,10-11,15-16,19H,3-5,8-9,12-14H2,1-2H3
InChIKeyDEUCNRVMRJYZJX-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.25
Rot. Bonds4

About N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propyl]cyclohexanamine

N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propyl]cyclohexanamine (PubChem CID 63779165) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propyl]cyclohexanamine
PubChem CID63779165
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propyl]cyclohexanamine
SMILESCC(CNC1CCCCC1)N1CCN(C)c2ccccc21
InChIInChI=1S/C18H29N3/c1-15(14-19-16-8-4-3-5-9-16)21-13-12-20(2)17-10-6-7-11-18(17)21/h6-7,10-11,15-16,19H,3-5,8-9,12-14H2,1-2H3
InChIKeyDEUCNRVMRJYZJX-UHFFFAOYSA-N
XLogP3.25
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propyl]cyclohexanamine?
The IUPAC name of N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propyl]cyclohexanamine (CID 63779165) is N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propyl]cyclohexanamine.
What is the SMILES notation for N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propyl]cyclohexanamine?
The canonical SMILES for N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propyl]cyclohexanamine is CC(CNC1CCCCC1)N1CCN(C)c2ccccc21.
What is the InChIKey of N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propyl]cyclohexanamine?
The InChIKey is DEUCNRVMRJYZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-15(14-19-16-8-4-3-5-9-16)21-13-12-20(2)17-10-6-7-11-18(17)21/h6-7,10-11,15-16,19H,3-5,8-9,12-14H2,1-2H3.
What are the key properties of N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propyl]cyclohexanamine?
N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propyl]cyclohexanamine has a molecular weight of 287.45 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)propyl]cyclohexanamine is sourced from PubChem (CID 63779165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).