1-(5-methylfuran-2-yl)-N-propylprop-2-yn-1-amine

C11H15NO — CID 104995757

IUPAC1-(5-methylfuran-2-yl)-N-propylprop-2-yn-1-amine
SMILESC#CC(NCCC)c1ccc(C)o1
InChIInChI=1S/C11H15NO/c1-4-8-12-10(5-2)11-7-6-9(3)13-11/h2,6-7,10,12H,4,8H2,1,3H3
InChIKeyHIICTKYEOBXTJG-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.26
Rot. Bonds4

About 1-(5-methylfuran-2-yl)-N-propylprop-2-yn-1-amine

1-(5-methylfuran-2-yl)-N-propylprop-2-yn-1-amine (PubChem CID 104995757) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-propylprop-2-yn-1-amine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-propylprop-2-yn-1-amine
PubChem CID104995757
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(5-methylfuran-2-yl)-N-propylprop-2-yn-1-amine
SMILESC#CC(NCCC)c1ccc(C)o1
InChIInChI=1S/C11H15NO/c1-4-8-12-10(5-2)11-7-6-9(3)13-11/h2,6-7,10,12H,4,8H2,1,3H3
InChIKeyHIICTKYEOBXTJG-UHFFFAOYSA-N
XLogP2.26
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.26
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

1-(5-methyl-1-benzofuran-2-yl)-N-propylprop-2-yn-1-amine
CID 105158225
N-[(2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 82815308
N-[2-(2,6-dichlorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 115830503
3-methyl-1-(5-methylfuran-2-yl)-N-propylbut-3-en-1-amine
CID 105004178
N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]propan-1-amine
CID 114820178
1-(2,6-difluorophenyl)-N-propylprop-2-yn-1-amine
CID 79522247
N-[(3,5-dibromophenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 107979814
N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 65296874
N,N-dimethyl-4-[1-(propylamino)prop-2-ynyl]aniline
CID 105158304
N-[(5-methylfuran-2-yl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302974
1-(2-methoxy-4-methylphenyl)-N-propylprop-2-yn-1-amine
CID 106792543
5-methyl-N-propylfuran-2-amine
CID 22398658

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-N-propylprop-2-yn-1-amine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-propylprop-2-yn-1-amine (CID 104995757) is 1-(5-methylfuran-2-yl)-N-propylprop-2-yn-1-amine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-propylprop-2-yn-1-amine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-propylprop-2-yn-1-amine is C#CC(NCCC)c1ccc(C)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-propylprop-2-yn-1-amine?
The InChIKey is HIICTKYEOBXTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-4-8-12-10(5-2)11-7-6-9(3)13-11/h2,6-7,10,12H,4,8H2,1,3H3.
What are the key properties of 1-(5-methylfuran-2-yl)-N-propylprop-2-yn-1-amine?
1-(5-methylfuran-2-yl)-N-propylprop-2-yn-1-amine has a molecular weight of 177.25 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-propylprop-2-yn-1-amine is sourced from PubChem (CID 104995757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).