3-N-(4-aminocyclohexyl)-2-N-methylquinoxaline-2,3-diamine

C15H21N5 — CID 71642527

IUPAC3-N-(4-aminocyclohexyl)-2-N-methylquinoxaline-2,3-diamine
SMILESCNc1nc2ccccc2nc1NC1CCC(N)CC1
InChIInChI=1S/C15H21N5/c1-17-14-15(18-11-8-6-10(16)7-9-11)20-13-5-3-2-4-12(13)19-14/h2-5,10-11H,6-9,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyHEJYMGQWPIVZFT-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.35
Rot. Bonds3

About 3-N-(4-aminocyclohexyl)-2-N-methylquinoxaline-2,3-diamine

3-N-(4-aminocyclohexyl)-2-N-methylquinoxaline-2,3-diamine (PubChem CID 71642527) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 3-N-(4-aminocyclohexyl)-2-N-methylquinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-(4-aminocyclohexyl)-2-N-methylquinoxaline-2,3-diamine
PubChem CID71642527
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name3-N-(4-aminocyclohexyl)-2-N-methylquinoxaline-2,3-diamine
SMILESCNc1nc2ccccc2nc1NC1CCC(N)CC1
InChIInChI=1S/C15H21N5/c1-17-14-15(18-11-8-6-10(16)7-9-11)20-13-5-3-2-4-12(13)19-14/h2-5,10-11H,6-9,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyHEJYMGQWPIVZFT-UHFFFAOYSA-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

3-N-[(1S,2S)-2-aminocyclohexyl]-2-N-methylquinoxaline-2,3-diamine
CID 97164701
2-N-methyl-3-N-[(3R)-piperidin-3-yl]quinoxaline-2,3-diamine
CID 71642523
4-N-(4-aminocyclohexyl)-2-N,2-N-dimethylquinazoline-2,4-diamine
CID 69014190
N-(4-ethylcyclohexyl)-3-methylquinoxalin-2-amine
CID 63539648
3-methyl-N-(4-propylcyclohexyl)quinoxalin-2-amine
CID 63541823
4-[[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol
CID 80770402
3-[(3R)-3-aminopyrrolidin-1-yl]-N-methylquinoxalin-2-amine;hydrochloride
CID 71642532
4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine
CID 80826223
4-N-quinolin-3-ylcyclohexane-1,4-diamine
CID 79724815
N-cyclopropyl-2-hydrazinylquinazolin-4-amine
CID 80932837
2-N-methyl-3-N-[[(3S)-piperidin-3-yl]methyl]quinoxaline-2,3-diamine
CID 97164709
2-N-methyl-3-N-[[(3R)-piperidin-3-yl]methyl]quinoxaline-2,3-diamine
CID 97164708

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-aminocyclohexyl)-2-N-methylquinoxaline-2,3-diamine?
The IUPAC name of 3-N-(4-aminocyclohexyl)-2-N-methylquinoxaline-2,3-diamine (CID 71642527) is 3-N-(4-aminocyclohexyl)-2-N-methylquinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-(4-aminocyclohexyl)-2-N-methylquinoxaline-2,3-diamine?
The canonical SMILES for 3-N-(4-aminocyclohexyl)-2-N-methylquinoxaline-2,3-diamine is CNc1nc2ccccc2nc1NC1CCC(N)CC1.
What is the InChIKey of 3-N-(4-aminocyclohexyl)-2-N-methylquinoxaline-2,3-diamine?
The InChIKey is HEJYMGQWPIVZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-17-14-15(18-11-8-6-10(16)7-9-11)20-13-5-3-2-4-12(13)19-14/h2-5,10-11H,6-9,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 3-N-(4-aminocyclohexyl)-2-N-methylquinoxaline-2,3-diamine?
3-N-(4-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-(4-aminocyclohexyl)-2-N-methylquinoxaline-2,3-diamine is sourced from PubChem (CID 71642527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).