N-[2-(aminomethyl)-2-ethylbutyl]-5-methylfuran-2-carboxamide

C13H22N2O2 — CID 106250802

IUPACN-[2-(aminomethyl)-2-ethylbutyl]-5-methylfuran-2-carboxamide
SMILESCCC(CC)(CN)CNC(=O)c1ccc(C)o1
InChIInChI=1S/C13H22N2O2/c1-4-13(5-2,8-14)9-15-12(16)11-7-6-10(3)17-11/h6-7H,4-5,8-9,14H2,1-3H3,(H,15,16)
InChIKeyOWRVJFVKUXYPFX-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.08
Rot. Bonds6

About N-[2-(aminomethyl)-2-ethylbutyl]-5-methylfuran-2-carboxamide

N-[2-(aminomethyl)-2-ethylbutyl]-5-methylfuran-2-carboxamide (PubChem CID 106250802) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[2-(aminomethyl)-2-ethylbutyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)-2-ethylbutyl]-5-methylfuran-2-carboxamide
PubChem CID106250802
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[2-(aminomethyl)-2-ethylbutyl]-5-methylfuran-2-carboxamide
SMILESCCC(CC)(CN)CNC(=O)c1ccc(C)o1
InChIInChI=1S/C13H22N2O2/c1-4-13(5-2,8-14)9-15-12(16)11-7-6-10(3)17-11/h6-7H,4-5,8-9,14H2,1-3H3,(H,15,16)
InChIKeyOWRVJFVKUXYPFX-UHFFFAOYSA-N
XLogP2.08
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.08
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-(2,2-difluoro-3-hydroxypropyl)-5-methylfuran-2-carboxamide
CID 104857131
N-(4-hydroxy-2,2-dimethylbutyl)-5-methylfuran-2-carboxamide
CID 103772319
N-[2-(aminomethyl)-2-ethylbutyl]-2,6-dihydroxybenzamide
CID 106250427
N-[2-(aminomethyl)-2-ethylbutyl]-4-methoxybenzamide
CID 106250544
5-chloro-N-[2-(chloromethyl)-2-ethylbutyl]furan-2-carboxamide
CID 106253138
N-[2-(aminomethyl)-2-ethylbutyl]-6-methylpyridine-3-carboxamide
CID 114164010
N-[2-(aminomethyl)-2-ethylbutyl]-2-ethylfuran-3-carboxamide
CID 114164084
5-methyl-N-(2-methylpropyl)furan-2-carboxamide
CID 3644011
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylfuran-2-carboxamide
CID 81486834
N-[2-(aminomethyl)-2-ethylbutyl]-4-fluoro-3-methylbenzamide
CID 106250501
N-[2-(aminomethyl)-2-ethylbutyl]-3-hydroxypyridine-4-carboxamide
CID 114164077

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[2-(aminomethyl)-2-ethylbutyl]-5-methylfuran-2-carboxamide (CID 106250802) is N-[2-(aminomethyl)-2-ethylbutyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)-2-ethylbutyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)-2-ethylbutyl]-5-methylfuran-2-carboxamide is CCC(CC)(CN)CNC(=O)c1ccc(C)o1.
What is the InChIKey of N-[2-(aminomethyl)-2-ethylbutyl]-5-methylfuran-2-carboxamide?
The InChIKey is OWRVJFVKUXYPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-13(5-2,8-14)9-15-12(16)11-7-6-10(3)17-11/h6-7H,4-5,8-9,14H2,1-3H3,(H,15,16).
What are the key properties of N-[2-(aminomethyl)-2-ethylbutyl]-5-methylfuran-2-carboxamide?
N-[2-(aminomethyl)-2-ethylbutyl]-5-methylfuran-2-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 2.08, 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]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 106250802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).