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

C12H19NO — CID 115677056

IUPAC1-cyclopropyl-N-[(2,5-dimethylfuran-3-yl)methyl]ethanamine
SMILESCc1cc(CNC(C)C2CC2)c(C)o1
InChIInChI=1S/C12H19NO/c1-8-6-12(10(3)14-8)7-13-9(2)11-4-5-11/h6,9,11,13H,4-5,7H2,1-3H3
InChIKeyUBCFQMZENGDOPG-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.78
Rot. Bonds4

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

1-cyclopropyl-N-[(2,5-dimethylfuran-3-yl)methyl]ethanamine (PubChem CID 115677056) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(2,5-dimethylfuran-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(2,5-dimethylfuran-3-yl)methyl]ethanamine
PubChem CID115677056
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-cyclopropyl-N-[(2,5-dimethylfuran-3-yl)methyl]ethanamine
SMILESCc1cc(CNC(C)C2CC2)c(C)o1
InChIInChI=1S/C12H19NO/c1-8-6-12(10(3)14-8)7-13-9(2)11-4-5-11/h6,9,11,13H,4-5,7H2,1-3H3
InChIKeyUBCFQMZENGDOPG-UHFFFAOYSA-N
XLogP2.78
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dimethylfuran-3-yl)methyl]-3-methylbutan-2-amine
CID 115875924
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-5-methylfuran-2-carboxylic acid
CID 103260002
(2R)-2-N-[(2,5-dimethylfuran-3-yl)methyl]propane-1,2-diamine
CID 104868153
2-[(2,5-dimethylfuran-3-yl)methylamino]propane-1,3-diol
CID 115876595
1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43163687
N-[(2,5-dimethylfuran-3-yl)methyl]-4-methoxybutan-2-amine
CID 115688380
2-[(2,5-dimethylfuran-3-yl)methylamino]-3-methylpentan-1-ol
CID 115876546
1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 115967889
N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpentan-3-amine
CID 115876307
1-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43400133
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 113258289
(1S)-1-cyclopentyl-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 81386110

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(2,5-dimethylfuran-3-yl)methyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[(2,5-dimethylfuran-3-yl)methyl]ethanamine (CID 115677056) is 1-cyclopropyl-N-[(2,5-dimethylfuran-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(2,5-dimethylfuran-3-yl)methyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[(2,5-dimethylfuran-3-yl)methyl]ethanamine is Cc1cc(CNC(C)C2CC2)c(C)o1.
What is the InChIKey of 1-cyclopropyl-N-[(2,5-dimethylfuran-3-yl)methyl]ethanamine?
The InChIKey is UBCFQMZENGDOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8-6-12(10(3)14-8)7-13-9(2)11-4-5-11/h6,9,11,13H,4-5,7H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[(2,5-dimethylfuran-3-yl)methyl]ethanamine?
1-cyclopropyl-N-[(2,5-dimethylfuran-3-yl)methyl]ethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(2,5-dimethylfuran-3-yl)methyl]ethanamine is sourced from PubChem (CID 115677056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).