N-(5-aminopentyl)-N,5-dimethylfuran-2-carboxamide

C12H20N2O2 — CID 107206681

IUPACN-(5-aminopentyl)-N,5-dimethylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N(C)CCCCCN)o1
InChIInChI=1S/C12H20N2O2/c1-10-6-7-11(16-10)12(15)14(2)9-5-3-4-8-13/h6-7H,3-5,8-9,13H2,1-2H3
InChIKeyLAEAHOUXOAFIDM-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.79
Rot. Bonds6

About N-(5-aminopentyl)-N,5-dimethylfuran-2-carboxamide

N-(5-aminopentyl)-N,5-dimethylfuran-2-carboxamide (PubChem CID 107206681) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(5-aminopentyl)-N,5-dimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-N,5-dimethylfuran-2-carboxamide
PubChem CID107206681
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(5-aminopentyl)-N,5-dimethylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N(C)CCCCCN)o1
InChIInChI=1S/C12H20N2O2/c1-10-6-7-11(16-10)12(15)14(2)9-5-3-4-8-13/h6-7H,3-5,8-9,13H2,1-2H3
InChIKeyLAEAHOUXOAFIDM-UHFFFAOYSA-N
XLogP1.79
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-ethyl-5-methylfuran-2-carboxamide
CID 43136432
N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)furan-2-carboxamide
CID 43135941
N-(2-cyanoethyl)-N,5-dimethylfuran-2-carboxamide
CID 28780453
7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide
CID 43514689
5-methyl-N,N-dipentylfuran-2-carboxamide
CID 3319656
5-chloro-N-(5-hydroxypentyl)-N-methylfuran-2-carboxamide
CID 107199927
N-(4-aminobutyl)-N-methylbenzamide
CID 119088367
methyl 2-[methyl-(5-methylfuran-2-carbonyl)amino]acetate
CID 43407543
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-5-methylfuran-2-carboxamide
CID 107493288
N-[[1-(aminomethyl)cyclobutyl]methyl]-N,5-dimethylfuran-2-carboxamide
CID 115272187
N-(5-aminopentyl)-4-(difluoromethoxy)-N-methylbenzamide
CID 107206523
N-(5-aminopentyl)-2,4-difluoro-N,5-dimethylbenzamide
CID 107206627

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-N,5-dimethylfuran-2-carboxamide?
The IUPAC name of N-(5-aminopentyl)-N,5-dimethylfuran-2-carboxamide (CID 107206681) is N-(5-aminopentyl)-N,5-dimethylfuran-2-carboxamide.
What is the SMILES notation for N-(5-aminopentyl)-N,5-dimethylfuran-2-carboxamide?
The canonical SMILES for N-(5-aminopentyl)-N,5-dimethylfuran-2-carboxamide is Cc1ccc(C(=O)N(C)CCCCCN)o1.
What is the InChIKey of N-(5-aminopentyl)-N,5-dimethylfuran-2-carboxamide?
The InChIKey is LAEAHOUXOAFIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10-6-7-11(16-10)12(15)14(2)9-5-3-4-8-13/h6-7H,3-5,8-9,13H2,1-2H3.
What are the key properties of N-(5-aminopentyl)-N,5-dimethylfuran-2-carboxamide?
N-(5-aminopentyl)-N,5-dimethylfuran-2-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-N,5-dimethylfuran-2-carboxamide is sourced from PubChem (CID 107206681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).