2-(aminomethyl)-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]butanamide

C13H22N2O2 — CID 113270027

IUPAC2-(aminomethyl)-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]butanamide
SMILESCCC(C)(CN)C(=O)N(C)Cc1ccoc1C
InChIInChI=1S/C13H22N2O2/c1-5-13(3,9-14)12(16)15(4)8-11-6-7-17-10(11)2/h6-7H,5,8-9,14H2,1-4H3
InChIKeyMBYBUPSBSAEPDA-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.92
Rot. Bonds5

About 2-(aminomethyl)-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]butanamide

2-(aminomethyl)-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]butanamide (PubChem CID 113270027) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]butanamide
PubChem CID113270027
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-(aminomethyl)-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]butanamide
SMILESCCC(C)(CN)C(=O)N(C)Cc1ccoc1C
InChIInChI=1S/C13H22N2O2/c1-5-13(3,9-14)12(16)15(4)8-11-6-7-17-10(11)2/h6-7H,5,8-9,14H2,1-4H3
InChIKeyMBYBUPSBSAEPDA-UHFFFAOYSA-N
XLogP1.92
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]butanamide (CID 113270027) is 2-(aminomethyl)-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]butanamide is CCC(C)(CN)C(=O)N(C)Cc1ccoc1C.
What is the InChIKey of 2-(aminomethyl)-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]butanamide?
The InChIKey is MBYBUPSBSAEPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-13(3,9-14)12(16)15(4)8-11-6-7-17-10(11)2/h6-7H,5,8-9,14H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]butanamide?
2-(aminomethyl)-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]butanamide has a molecular weight of 238.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]butanamide is sourced from PubChem (CID 113270027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).