(1-ethyl-3,3-dimethyl-2,4-dihydroquinoxalin-6-yl)methanamine

C13H21N3 — CID 115096393

IUPAC(1-ethyl-3,3-dimethyl-2,4-dihydroquinoxalin-6-yl)methanamine
SMILESCCN1CC(C)(C)Nc2cc(CN)ccc21
InChIInChI=1S/C13H21N3/c1-4-16-9-13(2,3)15-11-7-10(8-14)5-6-12(11)16/h5-7,15H,4,8-9,14H2,1-3H3
InChIKeyBSADLWNWEWTOMD-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.18
Rot. Bonds2

About (1-ethyl-3,3-dimethyl-2,4-dihydroquinoxalin-6-yl)methanamine

(1-ethyl-3,3-dimethyl-2,4-dihydroquinoxalin-6-yl)methanamine (PubChem CID 115096393) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is (1-ethyl-3,3-dimethyl-2,4-dihydroquinoxalin-6-yl)methanamine.

Molecular Properties

Compound Name(1-ethyl-3,3-dimethyl-2,4-dihydroquinoxalin-6-yl)methanamine
PubChem CID115096393
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name(1-ethyl-3,3-dimethyl-2,4-dihydroquinoxalin-6-yl)methanamine
SMILESCCN1CC(C)(C)Nc2cc(CN)ccc21
InChIInChI=1S/C13H21N3/c1-4-16-9-13(2,3)15-11-7-10(8-14)5-6-12(11)16/h5-7,15H,4,8-9,14H2,1-3H3
InChIKeyBSADLWNWEWTOMD-UHFFFAOYSA-N
XLogP2.18
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2,2-dimethyl-1,3-dihydroquinoxalin-6-ol
CID 115095246
6-(aminomethyl)-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one
CID 115096362
6-ethyl-2,2,4-trimethyl-1,3-dihydroquinoxaline
CID 84620438
4-ethyl-2,2-dimethyl-5-(trifluoromethyl)-1,3-dihydroquinoxaline
CID 115095110
[3-bromo-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
CID 102742901
[3-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]methanamine
CID 102742904
1-ethyl-4,4-dimethylimidazolidin-2-one;molecular hydrogen
CID 142810063
6-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
CID 115096299
(2,2-dimethyl-3,4-dihydro-1H-quinoxalin-6-yl)methanol
CID 115096233
[2,2-dimethyl-4-(2-pyrrolidin-1-ylethyl)-3H-1,4-benzoxazin-7-yl]methanamine
CID 82339135
1-[4-(aminomethyl)-2-bromophenyl]-3-methylpyrrolidin-3-ol
CID 103355326
[3-fluoro-4-(3,3,4-trimethylpiperazin-1-yl)phenyl]methanamine
CID 55216553

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3,3-dimethyl-2,4-dihydroquinoxalin-6-yl)methanamine?
The IUPAC name of (1-ethyl-3,3-dimethyl-2,4-dihydroquinoxalin-6-yl)methanamine (CID 115096393) is (1-ethyl-3,3-dimethyl-2,4-dihydroquinoxalin-6-yl)methanamine.
What is the SMILES notation for (1-ethyl-3,3-dimethyl-2,4-dihydroquinoxalin-6-yl)methanamine?
The canonical SMILES for (1-ethyl-3,3-dimethyl-2,4-dihydroquinoxalin-6-yl)methanamine is CCN1CC(C)(C)Nc2cc(CN)ccc21.
What is the InChIKey of (1-ethyl-3,3-dimethyl-2,4-dihydroquinoxalin-6-yl)methanamine?
The InChIKey is BSADLWNWEWTOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-4-16-9-13(2,3)15-11-7-10(8-14)5-6-12(11)16/h5-7,15H,4,8-9,14H2,1-3H3.
What are the key properties of (1-ethyl-3,3-dimethyl-2,4-dihydroquinoxalin-6-yl)methanamine?
(1-ethyl-3,3-dimethyl-2,4-dihydroquinoxalin-6-yl)methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3,3-dimethyl-2,4-dihydroquinoxalin-6-yl)methanamine is sourced from PubChem (CID 115096393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).