1-(2,5-dimethylfuran-3-yl)pent-3-yn-1-amine

C11H15NO — CID 115819722

IUPAC1-(2,5-dimethylfuran-3-yl)pent-3-yn-1-amine
SMILESCC#CCC(N)c1cc(C)oc1C
InChIInChI=1S/C11H15NO/c1-4-5-6-11(12)10-7-8(2)13-9(10)3/h7,11H,6,12H2,1-3H3
InChIKeyWOASKQGJOMJIGX-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.31
Rot. Bonds2

About 1-(2,5-dimethylfuran-3-yl)pent-3-yn-1-amine

1-(2,5-dimethylfuran-3-yl)pent-3-yn-1-amine (PubChem CID 115819722) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)pent-3-yn-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)pent-3-yn-1-amine
PubChem CID115819722
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(2,5-dimethylfuran-3-yl)pent-3-yn-1-amine
SMILESCC#CCC(N)c1cc(C)oc1C
InChIInChI=1S/C11H15NO/c1-4-5-6-11(12)10-7-8(2)13-9(10)3/h7,11H,6,12H2,1-3H3
InChIKeyWOASKQGJOMJIGX-UHFFFAOYSA-N
XLogP2.31
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-2-(2,5-dimethylfuran-3-yl)ethanol
CID 96734857
(1S)-1-(2,5-dimethylfuran-3-yl)-2-methoxyethanamine
CID 130739107
(3R)-3-amino-3-(2,5-dimethylfuran-3-yl)propanoic acid
CID 55293673
1-(3,5-dimethylphenyl)pent-3-yn-1-amine
CID 115819144
1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine
CID 54979824
1-(2,5-dimethylfuran-3-yl)-2-phenylethanamine
CID 61078450
1-(2,6-dimethyl-3-pyridinyl)pent-3-yn-1-amine
CID 105112231
1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanamine
CID 115846874
1-(2,5-dimethylfuran-3-yl)-2-(furan-2-yl)ethanamine
CID 105029404
1-(2-bromofuran-3-yl)pent-3-yn-1-amine
CID 106857125
2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 115841648
1-(1,5-dimethylpyrazol-4-yl)pent-3-yn-1-amine
CID 105112423

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)pent-3-yn-1-amine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)pent-3-yn-1-amine (CID 115819722) is 1-(2,5-dimethylfuran-3-yl)pent-3-yn-1-amine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)pent-3-yn-1-amine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)pent-3-yn-1-amine is CC#CCC(N)c1cc(C)oc1C.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)pent-3-yn-1-amine?
The InChIKey is WOASKQGJOMJIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-4-5-6-11(12)10-7-8(2)13-9(10)3/h7,11H,6,12H2,1-3H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)pent-3-yn-1-amine?
1-(2,5-dimethylfuran-3-yl)pent-3-yn-1-amine has a molecular weight of 177.25 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)pent-3-yn-1-amine is sourced from PubChem (CID 115819722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).