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

C14H20N4 — CID 102987406

IUPAC3-N-(3,3-dimethylbutyl)quinoxaline-2,3-diamine
SMILESCC(C)(C)CCNc1nc2ccccc2nc1N
InChIInChI=1S/C14H20N4/c1-14(2,3)8-9-16-13-12(15)17-10-6-4-5-7-11(10)18-13/h4-7H,8-9H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyDOUHUYFLLULDKV-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.06
Rot. Bonds3

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

3-N-(3,3-dimethylbutyl)quinoxaline-2,3-diamine (PubChem CID 102987406) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-N-(3,3-dimethylbutyl)quinoxaline-2,3-diamine.

Molecular Properties

Compound Name3-N-(3,3-dimethylbutyl)quinoxaline-2,3-diamine
PubChem CID102987406
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3-N-(3,3-dimethylbutyl)quinoxaline-2,3-diamine
SMILESCC(C)(C)CCNc1nc2ccccc2nc1N
InChIInChI=1S/C14H20N4/c1-14(2,3)8-9-16-13-12(15)17-10-6-4-5-7-11(10)18-13/h4-7H,8-9H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyDOUHUYFLLULDKV-UHFFFAOYSA-N
XLogP3.06
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(2-methoxyethyl)quinoxaline-2,3-diamine
CID 102983552
3-N-[2-(diethylamino)ethyl]quinoxaline-2,3-diamine
CID 102983578
2-[(3-aminoquinoxalin-2-yl)amino]ethanesulfonamide
CID 102983720
4-[(3-aminoquinoxalin-2-yl)amino]butanamide
CID 102983771
3-N-(3,3-dimethylbutan-2-yl)quinoxaline-2,3-diamine
CID 102987232
3-N-[2-(2-methylprop-2-enoxy)ethyl]quinoxaline-2,3-diamine
CID 102987489
3-N-(2-ethoxy-2-methylpropyl)quinoxaline-2,3-diamine
CID 102987528
5-[(3-aminoquinoxalin-2-yl)amino]pentanamide
CID 106241523
3-N-[2-(1,3-thiazol-2-yl)ethyl]quinoxaline-2,3-diamine
CID 102984316
3-N-[2-(triazol-1-yl)ethyl]quinoxaline-2,3-diamine
CID 102987204
3-N-(2-imidazol-1-ylethyl)quinoxaline-2,3-diamine
CID 102983953
3-N-[2-(1H-imidazol-2-yl)ethyl]quinoxaline-2,3-diamine
CID 102987384

Frequently Asked Questions

What is the IUPAC name of 3-N-(3,3-dimethylbutyl)quinoxaline-2,3-diamine?
The IUPAC name of 3-N-(3,3-dimethylbutyl)quinoxaline-2,3-diamine (CID 102987406) is 3-N-(3,3-dimethylbutyl)quinoxaline-2,3-diamine.
What is the SMILES notation for 3-N-(3,3-dimethylbutyl)quinoxaline-2,3-diamine?
The canonical SMILES for 3-N-(3,3-dimethylbutyl)quinoxaline-2,3-diamine is CC(C)(C)CCNc1nc2ccccc2nc1N.
What is the InChIKey of 3-N-(3,3-dimethylbutyl)quinoxaline-2,3-diamine?
The InChIKey is DOUHUYFLLULDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-14(2,3)8-9-16-13-12(15)17-10-6-4-5-7-11(10)18-13/h4-7H,8-9H2,1-3H3,(H2,15,17)(H,16,18).
What are the key properties of 3-N-(3,3-dimethylbutyl)quinoxaline-2,3-diamine?
3-N-(3,3-dimethylbutyl)quinoxaline-2,3-diamine has a molecular weight of 244.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,3-dimethylbutyl)quinoxaline-2,3-diamine is sourced from PubChem (CID 102987406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).