2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide

C11H20N4O — CID 76994588

IUPAC2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
SMILESCn1ccnc1CNC(=O)C(N)C(C)(C)C
InChIInChI=1S/C11H20N4O/c1-11(2,3)9(12)10(16)14-7-8-13-5-6-15(8)4/h5-6,9H,7,12H2,1-4H3,(H,14,16)
InChIKeyUDTMDDYSCJARDV-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.41
Rot. Bonds3

About 2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide

2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide (PubChem CID 76994588) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
PubChem CID76994588
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
SMILESCn1ccnc1CNC(=O)C(N)C(C)(C)C
InChIInChI=1S/C11H20N4O/c1-11(2,3)9(12)10(16)14-7-8-13-5-6-15(8)4/h5-6,9H,7,12H2,1-4H3,(H,14,16)
InChIKeyUDTMDDYSCJARDV-UHFFFAOYSA-N
XLogP0.41
TPSA72.94 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 ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79013544
3-amino-2,2,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 65266755
2-(aminomethyl)-4,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
CID 107472140
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63293672
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745
2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)acetamide
CID 106151713
(2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-2-[(1-methylimidazol-2-yl)methylamino]butanamide
CID 58012732
3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63666126
2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetic acid
CID 63292500
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]butanamide;dihydrochloride
CID 119869283

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide?
The IUPAC name of 2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide (CID 76994588) is 2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide.
What is the SMILES notation for 2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide?
The canonical SMILES for 2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide is Cn1ccnc1CNC(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide?
The InChIKey is UDTMDDYSCJARDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-11(2,3)9(12)10(16)14-7-8-13-5-6-15(8)4/h5-6,9H,7,12H2,1-4H3,(H,14,16).
What are the key properties of 2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide?
2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide has a molecular weight of 224.31 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide is sourced from PubChem (CID 76994588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).