2-[5-(aminomethyl)-4-methylimidazol-1-yl]-3,3-dimethylbutanamide

C11H20N4O — CID 57255261

IUPAC2-[5-(aminomethyl)-4-methylimidazol-1-yl]-3,3-dimethylbutanamide
SMILESCc1ncn(C(C(N)=O)C(C)(C)C)c1CN
InChIInChI=1S/C11H20N4O/c1-7-8(5-12)15(6-14-7)9(10(13)16)11(2,3)4/h6,9H,5,12H2,1-4H3,(H2,13,16)
InChIKeyKWMZYVVEVUGFLI-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.72
Rot. Bonds3

About 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-3,3-dimethylbutanamide

2-[5-(aminomethyl)-4-methylimidazol-1-yl]-3,3-dimethylbutanamide (PubChem CID 57255261) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-[5-(aminomethyl)-4-methylimidazol-1-yl]-3,3-dimethylbutanamide
PubChem CID57255261
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-[5-(aminomethyl)-4-methylimidazol-1-yl]-3,3-dimethylbutanamide
SMILESCc1ncn(C(C(N)=O)C(C)(C)C)c1CN
InChIInChI=1S/C11H20N4O/c1-7-8(5-12)15(6-14-7)9(10(13)16)11(2,3)4/h6,9H,5,12H2,1-4H3,(H2,13,16)
InChIKeyKWMZYVVEVUGFLI-UHFFFAOYSA-N
XLogP0.72
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 100066644
CID 100066644
CID 21224533
CID 21224533
CID 53685528
CID 53685528
CID 50954861
CID 50954861
CID 50982626
CID 50982626
CID 21224503
CID 21224503
CID 21224543
CID 21224543
CID 21224553
CID 21224553
CID 21224560
CID 21224560
CID 22965856
CID 22965856
CID 53688803
CID 53688803
CID 53700598
CID 53700598

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-3,3-dimethylbutanamide?
The IUPAC name of 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-3,3-dimethylbutanamide (CID 57255261) is 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-3,3-dimethylbutanamide is Cc1ncn(C(C(N)=O)C(C)(C)C)c1CN.
What is the InChIKey of 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-3,3-dimethylbutanamide?
The InChIKey is KWMZYVVEVUGFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7-8(5-12)15(6-14-7)9(10(13)16)11(2,3)4/h6,9H,5,12H2,1-4H3,(H2,13,16).
What are the key properties of 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-3,3-dimethylbutanamide?
2-[5-(aminomethyl)-4-methylimidazol-1-yl]-3,3-dimethylbutanamide has a molecular weight of 224.31 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-4-methylimidazol-1-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 57255261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).