4-methoxy-1-(5-methylfuran-2-yl)butan-1-amine

C10H17NO2 — CID 105054856

IUPAC4-methoxy-1-(5-methylfuran-2-yl)butan-1-amine
SMILESCOCCCC(N)c1ccc(C)o1
InChIInChI=1S/C10H17NO2/c1-8-5-6-10(13-8)9(11)4-3-7-12-2/h5-6,9H,3-4,7,11H2,1-2H3
InChIKeyLSEPYIWALBTBBV-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.01
Rot. Bonds5

About 4-methoxy-1-(5-methylfuran-2-yl)butan-1-amine

4-methoxy-1-(5-methylfuran-2-yl)butan-1-amine (PubChem CID 105054856) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-methoxy-1-(5-methylfuran-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-(5-methylfuran-2-yl)butan-1-amine
PubChem CID105054856
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-methoxy-1-(5-methylfuran-2-yl)butan-1-amine
SMILESCOCCCC(N)c1ccc(C)o1
InChIInChI=1S/C10H17NO2/c1-8-5-6-10(13-8)9(11)4-3-7-12-2/h5-6,9H,3-4,7,11H2,1-2H3
InChIKeyLSEPYIWALBTBBV-UHFFFAOYSA-N
XLogP2.01
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(5-methylfuran-2-yl)pentane-1,5-diamine
CID 171231965
1-(5-methylfuran-2-yl)hexan-1-amine;hydrochloride
CID 86262852
N'-methyl-1-(5-methylfuran-2-yl)butane-1,4-diamine
CID 116933940
ethane;(1R)-1-(5-methylfuran-2-yl)propan-1-amine
CID 142856729
1-[2-(3-methoxypropoxy)ethoxy]-1-(5-methylfuran-2-yl)propan-2-amine
CID 103176978
2-ethoxy-1-(5-methylfuran-2-yl)ethanamine
CID 16793106
1-(furan-2-yl)-4-methoxybutan-1-amine
CID 62716134
(1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171231975
(1R)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171212372
4-amino-4-(5-methylfuran-2-yl)butanenitrile
CID 116940083
(1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride
CID 171212357
1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993129

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(5-methylfuran-2-yl)butan-1-amine?
The IUPAC name of 4-methoxy-1-(5-methylfuran-2-yl)butan-1-amine (CID 105054856) is 4-methoxy-1-(5-methylfuran-2-yl)butan-1-amine.
What is the SMILES notation for 4-methoxy-1-(5-methylfuran-2-yl)butan-1-amine?
The canonical SMILES for 4-methoxy-1-(5-methylfuran-2-yl)butan-1-amine is COCCCC(N)c1ccc(C)o1.
What is the InChIKey of 4-methoxy-1-(5-methylfuran-2-yl)butan-1-amine?
The InChIKey is LSEPYIWALBTBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8-5-6-10(13-8)9(11)4-3-7-12-2/h5-6,9H,3-4,7,11H2,1-2H3.
What are the key properties of 4-methoxy-1-(5-methylfuran-2-yl)butan-1-amine?
4-methoxy-1-(5-methylfuran-2-yl)butan-1-amine has a molecular weight of 183.25 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(5-methylfuran-2-yl)butan-1-amine is sourced from PubChem (CID 105054856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).