2-[(E)-but-1-enyl]-3-methylquinoxaline;N,N-dimethylbutan-1-amine

C19H29N3 — CID 143956357

IUPAC2-[(E)-but-1-enyl]-3-methylquinoxaline;N,N-dimethylbutan-1-amine
SMILESCC/C=C/c1nc2ccccc2nc1C.CCCCN(C)C
InChIInChI=1S/C13H14N2.C6H15N/c1-3-4-7-11-10(2)14-12-8-5-6-9-13(12)15-11;1-4-5-6-7(2)3/h4-9H,3H2,1-2H3;4-6H2,1-3H3/b7-4+;
InChIKeyLSFNDQDJLQLAQV-KQGICBIGSA-N
MW299.46 g/mol
LogP4.71
Rot. Bonds5

About 2-[(E)-but-1-enyl]-3-methylquinoxaline;N,N-dimethylbutan-1-amine

2-[(E)-but-1-enyl]-3-methylquinoxaline;N,N-dimethylbutan-1-amine (PubChem CID 143956357) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-[(E)-but-1-enyl]-3-methylquinoxaline;N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(E)-but-1-enyl]-3-methylquinoxaline;N,N-dimethylbutan-1-amine
PubChem CID143956357
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name2-[(E)-but-1-enyl]-3-methylquinoxaline;N,N-dimethylbutan-1-amine
SMILESCC/C=C/c1nc2ccccc2nc1C.CCCCN(C)C
InChIInChI=1S/C13H14N2.C6H15N/c1-3-4-7-11-10(2)14-12-8-5-6-9-13(12)15-11;1-4-5-6-7(2)3/h4-9H,3H2,1-2H3;4-6H2,1-3H3/b7-4+;
InChIKeyLSFNDQDJLQLAQV-KQGICBIGSA-N
XLogP4.71
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-but-1-enyl]-3-methylquinoxalin-5-ol
CID 143952989
3-[(Z)-but-1-enyl]-2-methylquinoxalin-5-ol;ethane
CID 142879464
(E)-3-(3-methylquinoxalin-2-yl)prop-2-enenitrile
CID 13213339
3-methylquinoxaline-2-carbaldehyde
CID 588800
N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
CID 18549044
3-hex-1-enyl-2,4-dimethylquinoline
CID 70124767
N,N-dimethylbutan-1-amine;N-methylaniline
CID 174844053
N,N-dimethylbutan-1-amine;dihydrochloride
CID 174248401
2,3-dimethylpyrazino[2,3-b]phenazine
CID 101041837
2-(butylsulfanylmethyl)-3-methylquinoxaline
CID 112781266
2,3-dibutylquinoxaline
CID 14641798
N,N-dimethyl-3-[[6-methyl-2-(2-phenylethenyl)-3-pyridinyl]oxy]propan-1-amine
CID 54529314

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-1-enyl]-3-methylquinoxaline;N,N-dimethylbutan-1-amine?
The IUPAC name of 2-[(E)-but-1-enyl]-3-methylquinoxaline;N,N-dimethylbutan-1-amine (CID 143956357) is 2-[(E)-but-1-enyl]-3-methylquinoxaline;N,N-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(E)-but-1-enyl]-3-methylquinoxaline;N,N-dimethylbutan-1-amine?
The canonical SMILES for 2-[(E)-but-1-enyl]-3-methylquinoxaline;N,N-dimethylbutan-1-amine is CC/C=C/c1nc2ccccc2nc1C.CCCCN(C)C.
What is the InChIKey of 2-[(E)-but-1-enyl]-3-methylquinoxaline;N,N-dimethylbutan-1-amine?
The InChIKey is LSFNDQDJLQLAQV-KQGICBIGSA-N. The full InChI is InChI=1S/C13H14N2.C6H15N/c1-3-4-7-11-10(2)14-12-8-5-6-9-13(12)15-11;1-4-5-6-7(2)3/h4-9H,3H2,1-2H3;4-6H2,1-3H3/b7-4+;.
What are the key properties of 2-[(E)-but-1-enyl]-3-methylquinoxaline;N,N-dimethylbutan-1-amine?
2-[(E)-but-1-enyl]-3-methylquinoxaline;N,N-dimethylbutan-1-amine has a molecular weight of 299.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-1-enyl]-3-methylquinoxaline;N,N-dimethylbutan-1-amine is sourced from PubChem (CID 143956357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).