trans-(1R,2R)-2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine

C14H17ClN4 — CID 97165233

IUPACtrans-(1R,2R)-2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@H]1Nc1nc2ccccc2nc1Cl
InChIInChI=1S/C14H17ClN4/c15-13-14(18-10-6-2-1-5-9(10)16)19-12-8-4-3-7-11(12)17-13/h3-4,7-10H,1-2,5-6,16H2,(H,18,19)/t9-,10-/m1/s1
InChIKeyNHOYSEKYWGVITL-NXEZZACHSA-N
MW276.77 g/mol
LogP2.96
Rot. Bonds2

About trans-(1R,2R)-2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine

trans-(1R,2R)-2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine (PubChem CID 97165233) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is trans-(1R,2R)-2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine
PubChem CID97165233
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Nametrans-(1R,2R)-2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine
SMILESN[C@@H]1CCCC[C@H]1Nc1nc2ccccc2nc1Cl
InChIInChI=1S/C14H17ClN4/c15-13-14(18-10-6-2-1-5-9(10)16)19-12-8-4-3-7-11(12)17-13/h3-4,7-10H,1-2,5-6,16H2,(H,18,19)/t9-,10-/m1/s1
InChIKeyNHOYSEKYWGVITL-NXEZZACHSA-N
XLogP2.96
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine
CID 71644138
3-N-[(1S,2S)-2-aminocyclohexyl]-2-N-methylquinoxaline-2,3-diamine
CID 97164701
3-N-(2-aminocyclohexyl)quinoxaline-2,3-diamine;hydrochloride
CID 71644139
1-N-(3-methylquinoxalin-2-yl)cycloheptane-1,2-diamine
CID 63258631
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
cis-(1R,2S)-2-N-(3-ethoxyquinoxalin-2-yl)cyclohexane-1,2-diamine
CID 97163468
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-(1,3-benzothiazol-2-yl)cyclohexane-1,2-diamine
CID 93453955
cis-(1S,2R)-2-N-(1,3-benzoxazol-2-yl)cyclohexane-1,2-diamine
CID 93454080
trans-(1R,2R)-2-N-(2-methylquinolin-4-yl)cyclohexane-1,2-diamine
CID 93453736

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine (CID 97165233) is trans-(1R,2R)-2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine is N[C@@H]1CCCC[C@H]1Nc1nc2ccccc2nc1Cl.
What is the InChIKey of trans-(1R,2R)-2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine?
The InChIKey is NHOYSEKYWGVITL-NXEZZACHSA-N. The full InChI is InChI=1S/C14H17ClN4/c15-13-14(18-10-6-2-1-5-9(10)16)19-12-8-4-3-7-11(12)17-13/h3-4,7-10H,1-2,5-6,16H2,(H,18,19)/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine?
trans-(1R,2R)-2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine has a molecular weight of 276.77 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 97165233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).