N-[3-(aminomethyl)pentan-3-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride

C13H23ClN2O2 — CID 119570912

IUPACN-[3-(aminomethyl)pentan-3-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1cc(C)oc1C.Cl
InChIInChI=1S/C13H22N2O2.ClH/c1-5-13(6-2,8-14)15-12(16)11-7-9(3)17-10(11)4;/h7H,5-6,8,14H2,1-4H3,(H,15,16);1H
InChIKeyAOIOJTHKSLZLRB-UHFFFAOYSA-N
MW274.79 g/mol
LogP2.57
Rot. Bonds5

About N-[3-(aminomethyl)pentan-3-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride (PubChem CID 119570912) has the molecular formula C13H23ClN2O2 and a molecular weight of 274.79 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
PubChem CID119570912
Molecular FormulaC13H23ClN2O2
Molecular Weight274.79 g/mol
Exact Mass274.14
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1cc(C)oc1C.Cl
InChIInChI=1S/C13H22N2O2.ClH/c1-5-13(6-2,8-14)15-12(16)11-7-9(3)17-10(11)4;/h7H,5-6,8,14H2,1-4H3,(H,15,16);1H
InChIKeyAOIOJTHKSLZLRB-UHFFFAOYSA-N
XLogP2.57
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)-2-ethylbutyl]-2,5-dimethylfuran-3-carboxamide
CID 106250540
N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylfuran-3-carboxamide
CID 43390484
N-[3-(aminomethyl)pentan-3-yl]-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
CID 119572156
N-[3-(aminomethyl)pentan-3-yl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119568953
N-[3-(aminomethyl)pentan-3-yl]-2,4,6-trimethylbenzamide
CID 63764973
methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpropanoate
CID 3858480
N-[3-(aminomethyl)pentan-3-yl]-2,5-difluorobenzamide
CID 63766299
N-[3-(aminomethyl)pentan-3-yl]-2-bromo-4-fluorobenzamide;hydrochloride
CID 119570474
N-methoxy-2,5-dimethylfuran-3-carboxamide
CID 60716938
2-(4-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]butanoic acid
CID 120977808
ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate
CID 61343316
N-[3-(aminomethyl)pentan-3-yl]-2-methyl-5-methylsulfonylbenzamide
CID 119570598

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride (CID 119570912) is N-[3-(aminomethyl)pentan-3-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride is CCC(CC)(CN)NC(=O)c1cc(C)oc1C.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride?
The InChIKey is AOIOJTHKSLZLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2.ClH/c1-5-13(6-2,8-14)15-12(16)11-7-9(3)17-10(11)4;/h7H,5-6,8,14H2,1-4H3,(H,15,16);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride has a molecular weight of 274.79 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride is sourced from PubChem (CID 119570912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).