3-N-cycloheptyl-3-N-methylquinoxaline-2,3-diamine

C16H22N4 — CID 102985570

IUPAC3-N-cycloheptyl-3-N-methylquinoxaline-2,3-diamine
SMILESCN(c1nc2ccccc2nc1N)C1CCCCCC1
InChIInChI=1S/C16H22N4/c1-20(12-8-4-2-3-5-9-12)16-15(17)18-13-10-6-7-11-14(13)19-16/h6-7,10-12H,2-5,8-9H2,1H3,(H2,17,18)
InChIKeyDLDUXELAPZUYHV-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.37
Rot. Bonds2

About 3-N-cycloheptyl-3-N-methylquinoxaline-2,3-diamine

3-N-cycloheptyl-3-N-methylquinoxaline-2,3-diamine (PubChem CID 102985570) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-N-cycloheptyl-3-N-methylquinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-cycloheptyl-3-N-methylquinoxaline-2,3-diamine
PubChem CID102985570
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-N-cycloheptyl-3-N-methylquinoxaline-2,3-diamine
SMILESCN(c1nc2ccccc2nc1N)C1CCCCCC1
InChIInChI=1S/C16H22N4/c1-20(12-8-4-2-3-5-9-12)16-15(17)18-13-10-6-7-11-14(13)19-16/h6-7,10-12H,2-5,8-9H2,1H3,(H2,17,18)
InChIKeyDLDUXELAPZUYHV-UHFFFAOYSA-N
XLogP3.37
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-cycloheptyl-3-N-methylquinoxaline-2,3-diamine?
The IUPAC name of 3-N-cycloheptyl-3-N-methylquinoxaline-2,3-diamine (CID 102985570) is 3-N-cycloheptyl-3-N-methylquinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-cycloheptyl-3-N-methylquinoxaline-2,3-diamine?
The canonical SMILES for 3-N-cycloheptyl-3-N-methylquinoxaline-2,3-diamine is CN(c1nc2ccccc2nc1N)C1CCCCCC1.
What is the InChIKey of 3-N-cycloheptyl-3-N-methylquinoxaline-2,3-diamine?
The InChIKey is DLDUXELAPZUYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-20(12-8-4-2-3-5-9-12)16-15(17)18-13-10-6-7-11-14(13)19-16/h6-7,10-12H,2-5,8-9H2,1H3,(H2,17,18).
What are the key properties of 3-N-cycloheptyl-3-N-methylquinoxaline-2,3-diamine?
3-N-cycloheptyl-3-N-methylquinoxaline-2,3-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cycloheptyl-3-N-methylquinoxaline-2,3-diamine is sourced from PubChem (CID 102985570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).