3-N-[(1S,2S)-2-aminocyclohexyl]-2-N-methylquinoxaline-2,3-diamine

C15H21N5 — CID 97164701

IUPAC3-N-[(1S,2S)-2-aminocyclohexyl]-2-N-methylquinoxaline-2,3-diamine
SMILESCNc1nc2ccccc2nc1N[C@H]1CCCC[C@@H]1N
InChIInChI=1S/C15H21N5/c1-17-14-15(18-11-7-3-2-6-10(11)16)20-13-9-5-4-8-12(13)19-14/h4-5,8-11H,2-3,6-7,16H2,1H3,(H,17,19)(H,18,20)/t10-,11-/m0/s1
InChIKeyAPJSGMRXQRLAEM-QWRGUYRKSA-N
MW271.37 g/mol
LogP2.35
Rot. Bonds3

About 3-N-[(1S,2S)-2-aminocyclohexyl]-2-N-methylquinoxaline-2,3-diamine

3-N-[(1S,2S)-2-aminocyclohexyl]-2-N-methylquinoxaline-2,3-diamine (PubChem CID 97164701) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 3-N-[(1S,2S)-2-aminocyclohexyl]-2-N-methylquinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-[(1S,2S)-2-aminocyclohexyl]-2-N-methylquinoxaline-2,3-diamine
PubChem CID97164701
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name3-N-[(1S,2S)-2-aminocyclohexyl]-2-N-methylquinoxaline-2,3-diamine
SMILESCNc1nc2ccccc2nc1N[C@H]1CCCC[C@@H]1N
InChIInChI=1S/C15H21N5/c1-17-14-15(18-11-7-3-2-6-10(11)16)20-13-9-5-4-8-12(13)19-14/h4-5,8-11H,2-3,6-7,16H2,1H3,(H,17,19)(H,18,20)/t10-,11-/m0/s1
InChIKeyAPJSGMRXQRLAEM-QWRGUYRKSA-N
XLogP2.35
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(3-methylquinoxalin-2-yl)cycloheptane-1,2-diamine
CID 63258631
trans-(1R,2R)-2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine
CID 97165233
2-N-(3-chloroquinoxalin-2-yl)cyclohexane-1,2-diamine
CID 71644138
3-N-(2-aminocyclohexyl)quinoxaline-2,3-diamine;hydrochloride
CID 71644139
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
3-N-(4-aminocyclohexyl)-2-N-methylquinoxaline-2,3-diamine
CID 71642527
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
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 3-N-[(1S,2S)-2-aminocyclohexyl]-2-N-methylquinoxaline-2,3-diamine?
The IUPAC name of 3-N-[(1S,2S)-2-aminocyclohexyl]-2-N-methylquinoxaline-2,3-diamine (CID 97164701) is 3-N-[(1S,2S)-2-aminocyclohexyl]-2-N-methylquinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-[(1S,2S)-2-aminocyclohexyl]-2-N-methylquinoxaline-2,3-diamine?
The canonical SMILES for 3-N-[(1S,2S)-2-aminocyclohexyl]-2-N-methylquinoxaline-2,3-diamine is CNc1nc2ccccc2nc1N[C@H]1CCCC[C@@H]1N.
What is the InChIKey of 3-N-[(1S,2S)-2-aminocyclohexyl]-2-N-methylquinoxaline-2,3-diamine?
The InChIKey is APJSGMRXQRLAEM-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H21N5/c1-17-14-15(18-11-7-3-2-6-10(11)16)20-13-9-5-4-8-12(13)19-14/h4-5,8-11H,2-3,6-7,16H2,1H3,(H,17,19)(H,18,20)/t10-,11-/m0/s1.
What are the key properties of 3-N-[(1S,2S)-2-aminocyclohexyl]-2-N-methylquinoxaline-2,3-diamine?
3-N-[(1S,2S)-2-aminocyclohexyl]-2-N-methylquinoxaline-2,3-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(1S,2S)-2-aminocyclohexyl]-2-N-methylquinoxaline-2,3-diamine is sourced from PubChem (CID 97164701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).