cis-(1R,2S)-2-N-(3-ethoxyquinoxalin-2-yl)cyclohexane-1,2-diamine

C16H22N4O — CID 97163468

IUPACcis-(1R,2S)-2-N-(3-ethoxyquinoxalin-2-yl)cyclohexane-1,2-diamine
SMILESCCOc1nc2ccccc2nc1N[C@H]1CCCC[C@H]1N
InChIInChI=1S/C16H22N4O/c1-2-21-16-15(18-12-8-4-3-7-11(12)17)19-13-9-5-6-10-14(13)20-16/h5-6,9-12H,2-4,7-8,17H2,1H3,(H,18,19)/t11-,12+/m1/s1
InChIKeyDSSZWMUFRMHAGC-NEPJUHHUSA-N
MW286.38 g/mol
LogP2.71
Rot. Bonds4

About cis-(1R,2S)-2-N-(3-ethoxyquinoxalin-2-yl)cyclohexane-1,2-diamine

cis-(1R,2S)-2-N-(3-ethoxyquinoxalin-2-yl)cyclohexane-1,2-diamine (PubChem CID 97163468) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is cis-(1R,2S)-2-N-(3-ethoxyquinoxalin-2-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Namecis-(1R,2S)-2-N-(3-ethoxyquinoxalin-2-yl)cyclohexane-1,2-diamine
PubChem CID97163468
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Namecis-(1R,2S)-2-N-(3-ethoxyquinoxalin-2-yl)cyclohexane-1,2-diamine
SMILESCCOc1nc2ccccc2nc1N[C@H]1CCCC[C@H]1N
InChIInChI=1S/C16H22N4O/c1-2-21-16-15(18-12-8-4-3-7-11(12)17)19-13-9-5-6-10-14(13)20-16/h5-6,9-12H,2-4,7-8,17H2,1H3,(H,18,19)/t11-,12+/m1/s1
InChIKeyDSSZWMUFRMHAGC-NEPJUHHUSA-N
XLogP2.71
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3-methoxyquinoxalin-2-yl)cyclohexane-1,2-diamine
CID 71643079
cis-(1R,2S)-2-N-(3-methoxyquinoxalin-2-yl)cyclohexane-1,2-diamine
CID 97164902
3-N-[(1S,2S)-2-aminocyclohexyl]-2-N-methylquinoxaline-2,3-diamine
CID 97164701
2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine
CID 71644138
trans-(1R,2R)-2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine
CID 97165233
1-N-(3-methylquinoxalin-2-yl)cycloheptane-1,2-diamine
CID 63258631
3-N-(2-aminocyclohexyl)quinoxaline-2,3-diamine;hydrochloride
CID 71644139
2-N-(3-methylquinolin-2-yl)cyclohexane-1,2-diamine
CID 63229478
(3-ethoxyquinoxalin-2-yl)hydrazine
CID 119094166
N-(2-ethylcyclohexyl)-3-methylquinoxalin-2-amine
CID 63540099
trans-(1R,2R)-2-N-(2-methylquinolin-4-yl)cyclohexane-1,2-diamine
CID 93453736
2-[[(1R,2R)-2-aminocyclohexyl]amino]quinoline-3-carboxamide
CID 102738838

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-N-(3-ethoxyquinoxalin-2-yl)cyclohexane-1,2-diamine?
The IUPAC name of cis-(1R,2S)-2-N-(3-ethoxyquinoxalin-2-yl)cyclohexane-1,2-diamine (CID 97163468) is cis-(1R,2S)-2-N-(3-ethoxyquinoxalin-2-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for cis-(1R,2S)-2-N-(3-ethoxyquinoxalin-2-yl)cyclohexane-1,2-diamine?
The canonical SMILES for cis-(1R,2S)-2-N-(3-ethoxyquinoxalin-2-yl)cyclohexane-1,2-diamine is CCOc1nc2ccccc2nc1N[C@H]1CCCC[C@H]1N.
What is the InChIKey of cis-(1R,2S)-2-N-(3-ethoxyquinoxalin-2-yl)cyclohexane-1,2-diamine?
The InChIKey is DSSZWMUFRMHAGC-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-21-16-15(18-12-8-4-3-7-11(12)17)19-13-9-5-6-10-14(13)20-16/h5-6,9-12H,2-4,7-8,17H2,1H3,(H,18,19)/t11-,12+/m1/s1.
What are the key properties of cis-(1R,2S)-2-N-(3-ethoxyquinoxalin-2-yl)cyclohexane-1,2-diamine?
cis-(1R,2S)-2-N-(3-ethoxyquinoxalin-2-yl)cyclohexane-1,2-diamine has a molecular weight of 286.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-N-(3-ethoxyquinoxalin-2-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 97163468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).