N-(furan-2-ylmethyl)-3-methyl-N-(quinoxalin-2-ylmethyl)butan-2-amine

C19H23N3O — CID 56750786

IUPACN-(furan-2-ylmethyl)-3-methyl-N-(quinoxalin-2-ylmethyl)butan-2-amine
SMILESCC(C)C(C)N(Cc1cnc2ccccc2n1)Cc1ccco1
InChIInChI=1S/C19H23N3O/c1-14(2)15(3)22(13-17-7-6-10-23-17)12-16-11-20-18-8-4-5-9-19(18)21-16/h4-11,14-15H,12-13H2,1-3H3
InChIKeyMYLXCHSQVAXEHQ-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.27
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-methyl-N-(quinoxalin-2-ylmethyl)butan-2-amine

N-(furan-2-ylmethyl)-3-methyl-N-(quinoxalin-2-ylmethyl)butan-2-amine (PubChem CID 56750786) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-methyl-N-(quinoxalin-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-methyl-N-(quinoxalin-2-ylmethyl)butan-2-amine
PubChem CID56750786
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-(furan-2-ylmethyl)-3-methyl-N-(quinoxalin-2-ylmethyl)butan-2-amine
SMILESCC(C)C(C)N(Cc1cnc2ccccc2n1)Cc1ccco1
InChIInChI=1S/C19H23N3O/c1-14(2)15(3)22(13-17-7-6-10-23-17)12-16-11-20-18-8-4-5-9-19(18)21-16/h4-11,14-15H,12-13H2,1-3H3
InChIKeyMYLXCHSQVAXEHQ-UHFFFAOYSA-N
XLogP4.27
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(furan-2-yl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 81400826
N-[4-(furan-2-yl)butan-2-yl]quinoxalin-2-amine
CID 60716487
1-(furan-2-yl)-N-methyl-N-(quinolin-3-ylmethyl)methanamine
CID 23936129
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(furan-2-ylmethyl)-3-methylbutan-2-amine
CID 50955158
N-[[2,5-dimethyl-1-(1,2,4-triazol-4-yl)pyrrol-3-yl]methyl]-N-(furan-2-ylmethyl)-3-methylbutan-2-amine
CID 46989557
2-N,2-N-bis(furan-2-ylmethyl)propane-1,2-diamine
CID 174709691
1-quinoxalin-2-ylpropan-2-ol
CID 63201625
N-ethyl-N-(furan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379760
N-[2-(furan-2-yl)-1-quinoxalin-2-ylethyl]propan-1-amine
CID 107357381
2-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylquinolin-4-amine
CID 63374307
N-(furan-2-ylmethyl)-N-[(2S)-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94599867
N-ethyl-3-methyl-1-quinoxalin-2-ylbutan-2-amine
CID 63201806

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-methyl-N-(quinoxalin-2-ylmethyl)butan-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-3-methyl-N-(quinoxalin-2-ylmethyl)butan-2-amine (CID 56750786) is N-(furan-2-ylmethyl)-3-methyl-N-(quinoxalin-2-ylmethyl)butan-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-methyl-N-(quinoxalin-2-ylmethyl)butan-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-3-methyl-N-(quinoxalin-2-ylmethyl)butan-2-amine is CC(C)C(C)N(Cc1cnc2ccccc2n1)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-methyl-N-(quinoxalin-2-ylmethyl)butan-2-amine?
The InChIKey is MYLXCHSQVAXEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14(2)15(3)22(13-17-7-6-10-23-17)12-16-11-20-18-8-4-5-9-19(18)21-16/h4-11,14-15H,12-13H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-3-methyl-N-(quinoxalin-2-ylmethyl)butan-2-amine?
N-(furan-2-ylmethyl)-3-methyl-N-(quinoxalin-2-ylmethyl)butan-2-amine has a molecular weight of 309.41 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-methyl-N-(quinoxalin-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 56750786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).