1-(2,5-dimethylfuran-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine

C16H24N2O — CID 62472790

IUPAC1-(2,5-dimethylfuran-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
SMILESCc1cc(C(C)NCc2cc(C)n(C)c2C)c(C)o1
InChIInChI=1S/C16H24N2O/c1-10-7-15(13(4)18(10)6)9-17-12(3)16-8-11(2)19-14(16)5/h7-8,12,17H,9H2,1-6H3
InChIKeyBJYXMQHAUICBNZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.70
Rot. Bonds4

About 1-(2,5-dimethylfuran-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine

1-(2,5-dimethylfuran-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine (PubChem CID 62472790) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
PubChem CID62472790
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(2,5-dimethylfuran-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
SMILESCc1cc(C(C)NCc2cc(C)n(C)c2C)c(C)o1
InChIInChI=1S/C16H24N2O/c1-10-7-15(13(4)18(10)6)9-17-12(3)16-8-11(2)19-14(16)5/h7-8,12,17H,9H2,1-6H3
InChIKeyBJYXMQHAUICBNZ-UHFFFAOYSA-N
XLogP3.70
TPSA30.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62472782
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 43121384
1-(2,5-dimethylfuran-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 54895512
3-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-2-fluorobenzonitrile
CID 104579159
1-(2,5-dimethylfuran-3-yl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 63001727
2-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]benzoic acid
CID 103246125
1-(2,5-dimethylfuran-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 47081563
1-(2,5-dimethylfuran-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 64539114
1-(1H-1,2,4-triazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 106281612
N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 43121203
4-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51105389
4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]pentan-1-ol
CID 106348657

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine (CID 62472790) is 1-(2,5-dimethylfuran-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine is Cc1cc(C(C)NCc2cc(C)n(C)c2C)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
The InChIKey is BJYXMQHAUICBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-10-7-15(13(4)18(10)6)9-17-12(3)16-8-11(2)19-14(16)5/h7-8,12,17H,9H2,1-6H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
1-(2,5-dimethylfuran-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine has a molecular weight of 260.38 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine is sourced from PubChem (CID 62472790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).