3-N-(3,3-dimethylcyclopentyl)quinoxaline-2,3-diamine

C15H20N4 — CID 102987502

IUPAC3-N-(3,3-dimethylcyclopentyl)quinoxaline-2,3-diamine
SMILESCC1(C)CCC(Nc2nc3ccccc3nc2N)C1
InChIInChI=1S/C15H20N4/c1-15(2)8-7-10(9-15)17-14-13(16)18-11-5-3-4-6-12(11)19-14/h3-6,10H,7-9H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyCLVGOAOGALUQKE-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.20
Rot. Bonds2

About 3-N-(3,3-dimethylcyclopentyl)quinoxaline-2,3-diamine

3-N-(3,3-dimethylcyclopentyl)quinoxaline-2,3-diamine (PubChem CID 102987502) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-N-(3,3-dimethylcyclopentyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-(3,3-dimethylcyclopentyl)quinoxaline-2,3-diamine
PubChem CID102987502
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-N-(3,3-dimethylcyclopentyl)quinoxaline-2,3-diamine
SMILESCC1(C)CCC(Nc2nc3ccccc3nc2N)C1
InChIInChI=1S/C15H20N4/c1-15(2)8-7-10(9-15)17-14-13(16)18-11-5-3-4-6-12(11)19-14/h3-6,10H,7-9H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyCLVGOAOGALUQKE-UHFFFAOYSA-N
XLogP3.20
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)quinolin-2-amine
CID 114543493
3-N-(3,3-dimethylcyclopentyl)pyrazine-2,3-diamine
CID 103883799
N-(3,3-dimethylcyclopentyl)isoquinolin-1-amine
CID 114548093
3-N-(thiolan-3-yl)quinoxaline-2,3-diamine
CID 103065179
6-N-(3,3-dimethylcyclopentyl)pyridine-2,6-diamine
CID 114541691
3-N-(2-methylcyclopropyl)quinoxaline-2,3-diamine
CID 102984290
4-N-(3,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine
CID 114542173
5-chloro-4-N-(3,3-dimethylcyclopentyl)pyrimidine-4,6-diamine
CID 106812350
2-cyclopropyl-4-N-(3,3-dimethylcyclopentyl)-5-methylpyrimidine-4,6-diamine
CID 114542185
3-N-(2,3-dimethylcyclopentyl)quinoxaline-2,3-diamine
CID 102984543
2-N-(3,3-dimethylcyclopentyl)-6-methylpyridine-2,5-diamine
CID 114543416
2-[(3,3-dimethylcyclopentyl)amino]quinoline-4-carbothioamide
CID 114546697

Frequently Asked Questions

What is the IUPAC name of 3-N-(3,3-dimethylcyclopentyl)quinoxaline-2,3-diamine?
The IUPAC name of 3-N-(3,3-dimethylcyclopentyl)quinoxaline-2,3-diamine (CID 102987502) is 3-N-(3,3-dimethylcyclopentyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-(3,3-dimethylcyclopentyl)quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-(3,3-dimethylcyclopentyl)quinoxaline-2,3-diamine is CC1(C)CCC(Nc2nc3ccccc3nc2N)C1.
What is the InChIKey of 3-N-(3,3-dimethylcyclopentyl)quinoxaline-2,3-diamine?
The InChIKey is CLVGOAOGALUQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-15(2)8-7-10(9-15)17-14-13(16)18-11-5-3-4-6-12(11)19-14/h3-6,10H,7-9H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of 3-N-(3,3-dimethylcyclopentyl)quinoxaline-2,3-diamine?
3-N-(3,3-dimethylcyclopentyl)quinoxaline-2,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,3-dimethylcyclopentyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 102987502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).