1-N-(3-methylquinoxalin-2-yl)cycloheptane-1,2-diamine

C16H22N4 — CID 63258631

IUPAC1-N-(3-methylquinoxalin-2-yl)cycloheptane-1,2-diamine
SMILESCc1nc2ccccc2nc1NC1CCCCCC1N
InChIInChI=1S/C16H22N4/c1-11-16(19-13-8-4-2-3-7-12(13)17)20-15-10-6-5-9-14(15)18-11/h5-6,9-10,12-13H,2-4,7-8,17H2,1H3,(H,19,20)
InChIKeyCRZIPGOKPWTAJT-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.01
Rot. Bonds2

About 1-N-(3-methylquinoxalin-2-yl)cycloheptane-1,2-diamine

1-N-(3-methylquinoxalin-2-yl)cycloheptane-1,2-diamine (PubChem CID 63258631) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-N-(3-methylquinoxalin-2-yl)cycloheptane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-methylquinoxalin-2-yl)cycloheptane-1,2-diamine
PubChem CID63258631
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name1-N-(3-methylquinoxalin-2-yl)cycloheptane-1,2-diamine
SMILESCc1nc2ccccc2nc1NC1CCCCCC1N
InChIInChI=1S/C16H22N4/c1-11-16(19-13-8-4-2-3-7-12(13)17)20-15-10-6-5-9-14(15)18-11/h5-6,9-10,12-13H,2-4,7-8,17H2,1H3,(H,19,20)
InChIKeyCRZIPGOKPWTAJT-UHFFFAOYSA-N
XLogP3.01
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[(1S,2S)-2-aminocyclohexyl]-2-N-methylquinoxaline-2,3-diamine
CID 97164701
3-methyl-N-(2-methylcyclohexyl)quinoxalin-2-amine
CID 60730168
N-(2-ethylcyclohexyl)-3-methylquinoxalin-2-amine
CID 63540099
trans-(1R,2R)-2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine
CID 97165233
3-N-(2-aminocyclohexyl)quinoxaline-2,3-diamine;hydrochloride
CID 71644139
2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine
CID 71644138
cis-(1R,2S)-2-N-(3-methoxyquinoxalin-2-yl)cyclohexane-1,2-diamine
CID 97164902
2-N-(3-methoxyquinoxalin-2-yl)cyclohexane-1,2-diamine
CID 71643079
2-N-(3-methylquinolin-2-yl)cyclohexane-1,2-diamine
CID 63229478
cis-(1R,2S)-2-N-(3-ethoxyquinoxalin-2-yl)cyclohexane-1,2-diamine
CID 97163468
trans-(1R,2R)-2-N-(3,6-dimethylpyrazin-2-yl)cyclohexane-1,2-diamine
CID 93453704
trans-(1R,2R)-2-N-(2-methylquinolin-4-yl)cyclohexane-1,2-diamine
CID 93453736

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylquinoxalin-2-yl)cycloheptane-1,2-diamine?
The IUPAC name of 1-N-(3-methylquinoxalin-2-yl)cycloheptane-1,2-diamine (CID 63258631) is 1-N-(3-methylquinoxalin-2-yl)cycloheptane-1,2-diamine.
What is the SMILES notation for 1-N-(3-methylquinoxalin-2-yl)cycloheptane-1,2-diamine?
The canonical SMILES for 1-N-(3-methylquinoxalin-2-yl)cycloheptane-1,2-diamine is Cc1nc2ccccc2nc1NC1CCCCCC1N.
What is the InChIKey of 1-N-(3-methylquinoxalin-2-yl)cycloheptane-1,2-diamine?
The InChIKey is CRZIPGOKPWTAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11-16(19-13-8-4-2-3-7-12(13)17)20-15-10-6-5-9-14(15)18-11/h5-6,9-10,12-13H,2-4,7-8,17H2,1H3,(H,19,20).
What are the key properties of 1-N-(3-methylquinoxalin-2-yl)cycloheptane-1,2-diamine?
1-N-(3-methylquinoxalin-2-yl)cycloheptane-1,2-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methylquinoxalin-2-yl)cycloheptane-1,2-diamine is sourced from PubChem (CID 63258631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).