N-(1-benzofuran-3-ylmethyl)pent-4-yn-2-amine

C14H15NO — CID 115750447

IUPACN-(1-benzofuran-3-ylmethyl)pent-4-yn-2-amine
SMILESC#CCC(C)NCc1coc2ccccc12
InChIInChI=1S/C14H15NO/c1-3-6-11(2)15-9-12-10-16-14-8-5-4-7-13(12)14/h1,4-5,7-8,10-11,15H,6,9H2,2H3
InChIKeyPLIFZVOZKVDDQI-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.93
Rot. Bonds4

About N-(1-benzofuran-3-ylmethyl)pent-4-yn-2-amine

N-(1-benzofuran-3-ylmethyl)pent-4-yn-2-amine (PubChem CID 115750447) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)pent-4-yn-2-amine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)pent-4-yn-2-amine
PubChem CID115750447
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC NameN-(1-benzofuran-3-ylmethyl)pent-4-yn-2-amine
SMILESC#CCC(C)NCc1coc2ccccc12
InChIInChI=1S/C14H15NO/c1-3-6-11(2)15-9-12-10-16-14-8-5-4-7-13(12)14/h1,4-5,7-8,10-11,15H,6,9H2,2H3
InChIKeyPLIFZVOZKVDDQI-UHFFFAOYSA-N
XLogP2.93
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.93
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

N-(1-benzofuran-3-ylmethyl)but-3-yn-2-amine
CID 114414908
N-(1-benzofuran-3-ylmethyl)-4-methylsulfanylbutan-2-amine
CID 115750426
N-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine
CID 80700525
N-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80701226
N-(1-benzofuran-3-ylmethyl)octan-2-amine
CID 80700860
2-(1-benzofuran-3-ylmethylamino)propanenitrile
CID 115130217
3-(1-benzofuran-3-ylmethylamino)butanamide
CID 115677058
N-(1-benzofuran-3-ylmethyl)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 80703134
2-N-(1-benzofuran-3-ylmethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 80701303
N-(1-benzofuran-3-ylmethyl)but-3-en-2-amine
CID 115750474
N-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine
CID 79690307
4-(1-benzofuran-3-yl)-N-ethylbutan-2-amine
CID 80703561

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)pent-4-yn-2-amine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)pent-4-yn-2-amine (CID 115750447) is N-(1-benzofuran-3-ylmethyl)pent-4-yn-2-amine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)pent-4-yn-2-amine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)pent-4-yn-2-amine is C#CCC(C)NCc1coc2ccccc12.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)pent-4-yn-2-amine?
The InChIKey is PLIFZVOZKVDDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-3-6-11(2)15-9-12-10-16-14-8-5-4-7-13(12)14/h1,4-5,7-8,10-11,15H,6,9H2,2H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)pent-4-yn-2-amine?
N-(1-benzofuran-3-ylmethyl)pent-4-yn-2-amine has a molecular weight of 213.28 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)pent-4-yn-2-amine is sourced from PubChem (CID 115750447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).