5-(aminomethyl)-N-hex-1-yn-3-ylfuran-2-carboxamide

C12H16N2O2 — CID 106230583

IUPAC5-(aminomethyl)-N-hex-1-yn-3-ylfuran-2-carboxamide
SMILESC#CC(CCC)NC(=O)c1ccc(CN)o1
InChIInChI=1S/C12H16N2O2/c1-3-5-9(4-2)14-12(15)11-7-6-10(8-13)16-11/h2,6-7,9H,3,5,8,13H2,1H3,(H,14,15)
InChIKeyQBFHVNJPONCHAX-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.27
Rot. Bonds5

About 5-(aminomethyl)-N-hex-1-yn-3-ylfuran-2-carboxamide

5-(aminomethyl)-N-hex-1-yn-3-ylfuran-2-carboxamide (PubChem CID 106230583) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-(aminomethyl)-N-hex-1-yn-3-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-hex-1-yn-3-ylfuran-2-carboxamide
PubChem CID106230583
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-(aminomethyl)-N-hex-1-yn-3-ylfuran-2-carboxamide
SMILESC#CC(CCC)NC(=O)c1ccc(CN)o1
InChIInChI=1S/C12H16N2O2/c1-3-5-9(4-2)14-12(15)11-7-6-10(8-13)16-11/h2,6-7,9H,3,5,8,13H2,1H3,(H,14,15)
InChIKeyQBFHVNJPONCHAX-UHFFFAOYSA-N
XLogP1.27
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-hex-1-yn-3-yl-3-methylbenzamide
CID 114160341
2-(aminomethyl)-N-hex-1-yn-3-ylpyridine-4-carboxamide
CID 106230667
2-(4-aminophenyl)-N-hex-1-yn-3-ylacetamide
CID 106223446
2-ethyl-N-hex-1-yn-3-ylfuran-3-carboxamide
CID 106228530
4-tert-butyl-N-hex-1-yn-3-ylbenzamide
CID 106228291
3-amino-4-fluoro-N-hex-1-yn-3-ylbenzamide
CID 106223471
2-amino-N-hex-1-yn-3-yl-6-methylbenzamide
CID 106223431
2-amino-4,5-difluoro-N-hex-1-yn-3-ylbenzamide
CID 106223518
3-amino-N-hex-1-yn-3-ylbenzamide
CID 106223490
5-(aminomethyl)-N-(3-hydroxypentyl)furan-2-carboxamide
CID 115739064
5-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-carboxamide
CID 106160982
5-(aminomethyl)-N-octylfuran-2-carboxamide
CID 115567865

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-hex-1-yn-3-ylfuran-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-hex-1-yn-3-ylfuran-2-carboxamide (CID 106230583) is 5-(aminomethyl)-N-hex-1-yn-3-ylfuran-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-hex-1-yn-3-ylfuran-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-hex-1-yn-3-ylfuran-2-carboxamide is C#CC(CCC)NC(=O)c1ccc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-hex-1-yn-3-ylfuran-2-carboxamide?
The InChIKey is QBFHVNJPONCHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-5-9(4-2)14-12(15)11-7-6-10(8-13)16-11/h2,6-7,9H,3,5,8,13H2,1H3,(H,14,15).
What are the key properties of 5-(aminomethyl)-N-hex-1-yn-3-ylfuran-2-carboxamide?
5-(aminomethyl)-N-hex-1-yn-3-ylfuran-2-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-hex-1-yn-3-ylfuran-2-carboxamide is sourced from PubChem (CID 106230583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).