N-[2-(aminomethyl)-2-ethylbutyl]-2,5-dimethylfuran-3-carboxamide

C14H24N2O2 — CID 106250540

IUPACN-[2-(aminomethyl)-2-ethylbutyl]-2,5-dimethylfuran-3-carboxamide
SMILESCCC(CC)(CN)CNC(=O)c1cc(C)oc1C
InChIInChI=1S/C14H24N2O2/c1-5-14(6-2,8-15)9-16-13(17)12-7-10(3)18-11(12)4/h7H,5-6,8-9,15H2,1-4H3,(H,16,17)
InChIKeyVKEUKPVMWVMREA-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.39
Rot. Bonds6

About N-[2-(aminomethyl)-2-ethylbutyl]-2,5-dimethylfuran-3-carboxamide

N-[2-(aminomethyl)-2-ethylbutyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 106250540) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[2-(aminomethyl)-2-ethylbutyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-2-ethylbutyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID106250540
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[2-(aminomethyl)-2-ethylbutyl]-2,5-dimethylfuran-3-carboxamide
SMILESCCC(CC)(CN)CNC(=O)c1cc(C)oc1C
InChIInChI=1S/C14H24N2O2/c1-5-14(6-2,8-15)9-16-13(17)12-7-10(3)18-11(12)4/h7H,5-6,8-9,15H2,1-4H3,(H,16,17)
InChIKeyVKEUKPVMWVMREA-UHFFFAOYSA-N
XLogP2.39
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
CID 119570912
N-[2-(aminomethyl)-2-ethylbutyl]-5-methylfuran-2-carboxamide
CID 106250802
N-(4-bromo-2,2-dimethylbutyl)-2,5-dimethylfuran-3-carboxamide
CID 106143435
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 52907034
N-[2-(aminomethyl)-2-ethylbutyl]-2-ethylfuran-3-carboxamide
CID 114164084
N-[[1-(aminomethyl)cyclopentyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 113295147
N-(2-amino-2-sulfanylideneethyl)-2,5-dimethylfuran-3-carboxamide
CID 61127079
N-[2-(aminomethyl)-2-ethylbutyl]-3-hydroxypyridine-4-carboxamide
CID 114164077
N-(4-amino-2-methylbutyl)-2,5-dimethylfuran-3-carboxamide
CID 66089287
N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-2,5-dimethylfuran-3-carboxamide
CID 71787269
2,5-dimethyl-N-prop-2-enylfuran-3-carboxamide
CID 60653753
N-[2-[(2-chloroacetyl)amino]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 166429368

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-2,5-dimethylfuran-3-carboxamide (CID 106250540) is N-[2-(aminomethyl)-2-ethylbutyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)-2-ethylbutyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)-2-ethylbutyl]-2,5-dimethylfuran-3-carboxamide is CCC(CC)(CN)CNC(=O)c1cc(C)oc1C.
What is the InChIKey of N-[2-(aminomethyl)-2-ethylbutyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is VKEUKPVMWVMREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-14(6-2,8-15)9-16-13(17)12-7-10(3)18-11(12)4/h7H,5-6,8-9,15H2,1-4H3,(H,16,17).
What are the key properties of N-[2-(aminomethyl)-2-ethylbutyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-(aminomethyl)-2-ethylbutyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)-2-ethylbutyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 106250540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).