N-[(1-methylcyclopentyl)methyl]-1-quinoxalin-2-ylmethanamine

C16H21N3 — CID 63821652

IUPACN-[(1-methylcyclopentyl)methyl]-1-quinoxalin-2-ylmethanamine
SMILESCC1(CNCc2cnc3ccccc3n2)CCCC1
InChIInChI=1S/C16H21N3/c1-16(8-4-5-9-16)12-17-10-13-11-18-14-6-2-3-7-15(14)19-13/h2-3,6-7,11,17H,4-5,8-10,12H2,1H3
InChIKeyDSWPUWOVWWOTQZ-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.30
Rot. Bonds4

About N-[(1-methylcyclopentyl)methyl]-1-quinoxalin-2-ylmethanamine

N-[(1-methylcyclopentyl)methyl]-1-quinoxalin-2-ylmethanamine (PubChem CID 63821652) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)methyl]-1-quinoxalin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)methyl]-1-quinoxalin-2-ylmethanamine
PubChem CID63821652
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[(1-methylcyclopentyl)methyl]-1-quinoxalin-2-ylmethanamine
SMILESCC1(CNCc2cnc3ccccc3n2)CCCC1
InChIInChI=1S/C16H21N3/c1-16(8-4-5-9-16)12-17-10-13-11-18-14-6-2-3-7-15(14)19-13/h2-3,6-7,11,17H,4-5,8-10,12H2,1H3
InChIKeyDSWPUWOVWWOTQZ-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)methyl]-1-quinoxalin-2-ylmethanamine?
The IUPAC name of N-[(1-methylcyclopentyl)methyl]-1-quinoxalin-2-ylmethanamine (CID 63821652) is N-[(1-methylcyclopentyl)methyl]-1-quinoxalin-2-ylmethanamine.
What is the SMILES notation for N-[(1-methylcyclopentyl)methyl]-1-quinoxalin-2-ylmethanamine?
The canonical SMILES for N-[(1-methylcyclopentyl)methyl]-1-quinoxalin-2-ylmethanamine is CC1(CNCc2cnc3ccccc3n2)CCCC1.
What is the InChIKey of N-[(1-methylcyclopentyl)methyl]-1-quinoxalin-2-ylmethanamine?
The InChIKey is DSWPUWOVWWOTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(8-4-5-9-16)12-17-10-13-11-18-14-6-2-3-7-15(14)19-13/h2-3,6-7,11,17H,4-5,8-10,12H2,1H3.
What are the key properties of N-[(1-methylcyclopentyl)methyl]-1-quinoxalin-2-ylmethanamine?
N-[(1-methylcyclopentyl)methyl]-1-quinoxalin-2-ylmethanamine has a molecular weight of 255.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)methyl]-1-quinoxalin-2-ylmethanamine is sourced from PubChem (CID 63821652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).