1-(5-methylfuran-3-yl)butan-1-amine

C9H15NO — CID 82416831

IUPAC1-(5-methylfuran-3-yl)butan-1-amine
SMILESCCCC(N)c1coc(C)c1
InChIInChI=1S/C9H15NO/c1-3-4-9(10)8-5-7(2)11-6-8/h5-6,9H,3-4,10H2,1-2H3
InChIKeyQCFHEXRPNJJCBS-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.39
Rot. Bonds3

About 1-(5-methylfuran-3-yl)butan-1-amine

1-(5-methylfuran-3-yl)butan-1-amine (PubChem CID 82416831) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(5-methylfuran-3-yl)butan-1-amine.

Molecular Properties

Compound Name1-(5-methylfuran-3-yl)butan-1-amine
PubChem CID82416831
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(5-methylfuran-3-yl)butan-1-amine
SMILESCCCC(N)c1coc(C)c1
InChIInChI=1S/C9H15NO/c1-3-4-9(10)8-5-7(2)11-6-8/h5-6,9H,3-4,10H2,1-2H3
InChIKeyQCFHEXRPNJJCBS-UHFFFAOYSA-N
XLogP2.39
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethylsulfonyl-1-(5-methylfuran-3-yl)butan-1-amine
CID 115865315
(2S)-2-amino-2-(5-methylfuran-3-yl)ethanol
CID 96735872
[2-methyl-1-(5-methylfuran-3-yl)pentyl]hydrazine
CID 107895903
2-methyl-1-(5-methylfuran-3-yl)pentan-1-ol
CID 107894707
(1S)-1-(furan-3-yl)butan-1-amine
CID 78960978
4-(1-aminobutyl)-2,6-dimethylphenol
CID 55296178
2-(4-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanamine
CID 114821216
(1S)-1-(3,4-dibromophenyl)butan-1-amine
CID 130739510
(1R)-1-(3,4-dibromophenyl)butan-1-amine
CID 130673463
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735
1-(4-methyl-1,3-oxazol-2-yl)butan-1-amine
CID 82416558
5-[(1S)-1-aminobutyl]benzene-1,3-diol;hydrochloride
CID 171219418

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-3-yl)butan-1-amine?
The IUPAC name of 1-(5-methylfuran-3-yl)butan-1-amine (CID 82416831) is 1-(5-methylfuran-3-yl)butan-1-amine.
What is the SMILES notation for 1-(5-methylfuran-3-yl)butan-1-amine?
The canonical SMILES for 1-(5-methylfuran-3-yl)butan-1-amine is CCCC(N)c1coc(C)c1.
What is the InChIKey of 1-(5-methylfuran-3-yl)butan-1-amine?
The InChIKey is QCFHEXRPNJJCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-4-9(10)8-5-7(2)11-6-8/h5-6,9H,3-4,10H2,1-2H3.
What are the key properties of 1-(5-methylfuran-3-yl)butan-1-amine?
1-(5-methylfuran-3-yl)butan-1-amine has a molecular weight of 153.22 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-3-yl)butan-1-amine is sourced from PubChem (CID 82416831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).