N-[[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclobutyl]methyl]propan-2-amine

C17H27N3 — CID 81005133

IUPACN-[[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC1N1CCN(C)c2ccccc21
InChIInChI=1S/C17H27N3/c1-13(2)18-12-14-8-9-15(14)20-11-10-19(3)16-6-4-5-7-17(16)20/h4-7,13-15,18H,8-12H2,1-3H3
InChIKeySFIOLGGNMDHVAS-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.72
Rot. Bonds4

About N-[[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclobutyl]methyl]propan-2-amine

N-[[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclobutyl]methyl]propan-2-amine (PubChem CID 81005133) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclobutyl]methyl]propan-2-amine
PubChem CID81005133
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC1N1CCN(C)c2ccccc21
InChIInChI=1S/C17H27N3/c1-13(2)18-12-14-8-9-15(14)20-11-10-19(3)16-6-4-5-7-17(16)20/h4-7,13-15,18H,8-12H2,1-3H3
InChIKeySFIOLGGNMDHVAS-UHFFFAOYSA-N
XLogP2.72
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.72
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)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclobutyl]methyl]propan-2-amine (CID 81005133) is N-[[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclobutyl]methyl]propan-2-amine is CC(C)NCC1CCC1N1CCN(C)c2ccccc21.
What is the InChIKey of N-[[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is SFIOLGGNMDHVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-13(2)18-12-14-8-9-15(14)20-11-10-19(3)16-6-4-5-7-17(16)20/h4-7,13-15,18H,8-12H2,1-3H3.
What are the key properties of N-[[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclobutyl]methyl]propan-2-amine?
N-[[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 2.72, 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)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 81005133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).