N-(quinoxalin-5-ylmethyl)cycloheptanamine

C16H21N3 — CID 104614220

IUPACN-(quinoxalin-5-ylmethyl)cycloheptanamine
SMILESc1cc(CNC2CCCCCC2)c2nccnc2c1
InChIInChI=1S/C16H21N3/c1-2-4-8-14(7-3-1)19-12-13-6-5-9-15-16(13)18-11-10-17-15/h5-6,9-11,14,19H,1-4,7-8,12H2
InChIKeyWZKQPMDVFHJZLL-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.44
Rot. Bonds3

About N-(quinoxalin-5-ylmethyl)cycloheptanamine

N-(quinoxalin-5-ylmethyl)cycloheptanamine (PubChem CID 104614220) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-(quinoxalin-5-ylmethyl)cycloheptanamine.

Molecular Properties

Compound NameN-(quinoxalin-5-ylmethyl)cycloheptanamine
PubChem CID104614220
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-(quinoxalin-5-ylmethyl)cycloheptanamine
SMILESc1cc(CNC2CCCCCC2)c2nccnc2c1
InChIInChI=1S/C16H21N3/c1-2-4-8-14(7-3-1)19-12-13-6-5-9-15-16(13)18-11-10-17-15/h5-6,9-11,14,19H,1-4,7-8,12H2
InChIKeyWZKQPMDVFHJZLL-UHFFFAOYSA-N
XLogP3.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(quinoxalin-5-ylmethyl)cyclopentanamine
CID 104614218
N-(quinolin-4-ylmethyl)cyclohexanamine
CID 62337129
1-(oxolan-2-yl)-N-(quinoxalin-5-ylmethyl)methanamine
CID 104614221
N-[(3-bromo-2-fluorophenyl)methyl]cycloheptanamine
CID 114019817
N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride
CID 17294536
4-methyl-N-(quinolin-8-ylmethyl)cycloheptan-1-amine
CID 81426138
N-(isoquinolin-5-ylmethyl)cyclooctanamine
CID 62822995
N-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine
CID 61168084
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
N-[(2-aminophenyl)methyl]cyclooctanamine
CID 66385631
2,2,2-trifluoro-N-(quinoxalin-5-ylmethyl)ethanamine
CID 113433192
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184

Frequently Asked Questions

What is the IUPAC name of N-(quinoxalin-5-ylmethyl)cycloheptanamine?
The IUPAC name of N-(quinoxalin-5-ylmethyl)cycloheptanamine (CID 104614220) is N-(quinoxalin-5-ylmethyl)cycloheptanamine.
What is the SMILES notation for N-(quinoxalin-5-ylmethyl)cycloheptanamine?
The canonical SMILES for N-(quinoxalin-5-ylmethyl)cycloheptanamine is c1cc(CNC2CCCCCC2)c2nccnc2c1.
What is the InChIKey of N-(quinoxalin-5-ylmethyl)cycloheptanamine?
The InChIKey is WZKQPMDVFHJZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-4-8-14(7-3-1)19-12-13-6-5-9-15-16(13)18-11-10-17-15/h5-6,9-11,14,19H,1-4,7-8,12H2.
What are the key properties of N-(quinoxalin-5-ylmethyl)cycloheptanamine?
N-(quinoxalin-5-ylmethyl)cycloheptanamine has a molecular weight of 255.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinoxalin-5-ylmethyl)cycloheptanamine is sourced from PubChem (CID 104614220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).