N-(5-aminopentyl)-5-ethylfuran-2-carboxamide

C12H20N2O2 — CID 79094477

IUPACN-(5-aminopentyl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NCCCCCN)o1
InChIInChI=1S/C12H20N2O2/c1-2-10-6-7-11(16-10)12(15)14-9-5-3-4-8-13/h6-7H,2-5,8-9,13H2,1H3,(H,14,15)
InChIKeyBMQRRDKLKQCRFE-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.70
Rot. Bonds7

About N-(5-aminopentyl)-5-ethylfuran-2-carboxamide

N-(5-aminopentyl)-5-ethylfuran-2-carboxamide (PubChem CID 79094477) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(5-aminopentyl)-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-5-ethylfuran-2-carboxamide
PubChem CID79094477
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(5-aminopentyl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)NCCCCCN)o1
InChIInChI=1S/C12H20N2O2/c1-2-10-6-7-11(16-10)12(15)14-9-5-3-4-8-13/h6-7H,2-5,8-9,13H2,1H3,(H,14,15)
InChIKeyBMQRRDKLKQCRFE-UHFFFAOYSA-N
XLogP1.70
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-N-octylfuran-2-carboxamide
CID 115567865
5-ethyl-N-(3-iodopropyl)furan-2-carboxamide
CID 114504288
5-ethyl-N-(4-hydroxypentyl)furan-2-carboxamide
CID 107299752
N-(2-cyanoethyl)-5-ethylfuran-2-carboxamide
CID 112726773
N-(3-aminopropyl)-5-methylsulfanylfuran-2-carboxamide
CID 119406286
N-(2-azidoethyl)-5-ethylfuran-2-carboxamide
CID 79084209
5-(aminomethyl)-N-(3-propoxypropyl)furan-2-carboxamide
CID 82942250
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
N-(2-aminoethyl)-5-[(dimethylamino)methyl]furan-2-carboxamide
CID 10104585
5-ethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]furan-2-carboxamide
CID 55861118
N-[[1-(aminomethyl)cyclopropyl]methyl]-5-ethylfuran-2-carboxamide
CID 115456771
5-ethyl-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 47027033

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-5-ethylfuran-2-carboxamide?
The IUPAC name of N-(5-aminopentyl)-5-ethylfuran-2-carboxamide (CID 79094477) is N-(5-aminopentyl)-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-(5-aminopentyl)-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-(5-aminopentyl)-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)NCCCCCN)o1.
What is the InChIKey of N-(5-aminopentyl)-5-ethylfuran-2-carboxamide?
The InChIKey is BMQRRDKLKQCRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-2-10-6-7-11(16-10)12(15)14-9-5-3-4-8-13/h6-7H,2-5,8-9,13H2,1H3,(H,14,15).
What are the key properties of N-(5-aminopentyl)-5-ethylfuran-2-carboxamide?
N-(5-aminopentyl)-5-ethylfuran-2-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 79094477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).