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

C15H20N4O — CID 97164902

IUPACcis-(1R,2S)-2-N-(3-methoxyquinoxalin-2-yl)cyclohexane-1,2-diamine
SMILESCOc1nc2ccccc2nc1N[C@H]1CCCC[C@H]1N
InChIInChI=1S/C15H20N4O/c1-20-15-14(17-11-7-3-2-6-10(11)16)18-12-8-4-5-9-13(12)19-15/h4-5,8-11H,2-3,6-7,16H2,1H3,(H,17,18)/t10-,11+/m1/s1
InChIKeyKCWGBCHUBKMRTO-MNOVXSKESA-N
MW272.35 g/mol
LogP2.32
Rot. Bonds3

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

cis-(1R,2S)-2-N-(3-methoxyquinoxalin-2-yl)cyclohexane-1,2-diamine (PubChem CID 97164902) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is cis-(1R,2S)-2-N-(3-methoxyquinoxalin-2-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Namecis-(1R,2S)-2-N-(3-methoxyquinoxalin-2-yl)cyclohexane-1,2-diamine
PubChem CID97164902
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Namecis-(1R,2S)-2-N-(3-methoxyquinoxalin-2-yl)cyclohexane-1,2-diamine
SMILESCOc1nc2ccccc2nc1N[C@H]1CCCC[C@H]1N
InChIInChI=1S/C15H20N4O/c1-20-15-14(17-11-7-3-2-6-10(11)16)18-12-8-4-5-9-13(12)19-15/h4-5,8-11H,2-3,6-7,16H2,1H3,(H,17,18)/t10-,11+/m1/s1
InChIKeyKCWGBCHUBKMRTO-MNOVXSKESA-N
XLogP2.32
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.32
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-ethoxyquinoxalin-2-yl)cyclohexane-1,2-diamine
CID 97163468
3-N-[(1S,2S)-2-aminocyclohexyl]-2-N-methylquinoxaline-2,3-diamine
CID 97164701
1-N-(3-methylquinoxalin-2-yl)cycloheptane-1,2-diamine
CID 63258631
2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine
CID 71644138
3-N-(2-aminocyclohexyl)quinoxaline-2,3-diamine;hydrochloride
CID 71644139
trans-(1R,2R)-2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine
CID 97165233
2-N-(3-methylquinolin-2-yl)cyclohexane-1,2-diamine
CID 63229478
2-[[(1R,2R)-2-aminocyclohexyl]amino]quinoline-3-carboxamide
CID 102738838
trans-(1R,2R)-2-N-(2-methylquinolin-4-yl)cyclohexane-1,2-diamine
CID 93453736
2-N-(5-methoxyisoquinolin-1-yl)cyclohexane-1,2-diamine
CID 106540400
trans-(1R,2R)-2-N-(1,3-benzothiazol-2-yl)cyclohexane-1,2-diamine
CID 93453955

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-N-(3-methoxyquinoxalin-2-yl)cyclohexane-1,2-diamine?
The IUPAC name of cis-(1R,2S)-2-N-(3-methoxyquinoxalin-2-yl)cyclohexane-1,2-diamine (CID 97164902) is cis-(1R,2S)-2-N-(3-methoxyquinoxalin-2-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for cis-(1R,2S)-2-N-(3-methoxyquinoxalin-2-yl)cyclohexane-1,2-diamine?
The canonical SMILES for cis-(1R,2S)-2-N-(3-methoxyquinoxalin-2-yl)cyclohexane-1,2-diamine is COc1nc2ccccc2nc1N[C@H]1CCCC[C@H]1N.
What is the InChIKey of cis-(1R,2S)-2-N-(3-methoxyquinoxalin-2-yl)cyclohexane-1,2-diamine?
The InChIKey is KCWGBCHUBKMRTO-MNOVXSKESA-N. The full InChI is InChI=1S/C15H20N4O/c1-20-15-14(17-11-7-3-2-6-10(11)16)18-12-8-4-5-9-13(12)19-15/h4-5,8-11H,2-3,6-7,16H2,1H3,(H,17,18)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,2S)-2-N-(3-methoxyquinoxalin-2-yl)cyclohexane-1,2-diamine?
cis-(1R,2S)-2-N-(3-methoxyquinoxalin-2-yl)cyclohexane-1,2-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.32, 3 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-methoxyquinoxalin-2-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 97164902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).