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

C12H22N4O — CID 65266755

IUPAC3-amino-2,2,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
SMILESCn1ccnc1CNC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C12H22N4O/c1-11(2,12(3,4)13)10(17)15-8-9-14-6-7-16(9)5/h6-7H,8,13H2,1-5H3,(H,15,17)
InChIKeyGBVSRWNBUAYFOA-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.80
Rot. Bonds4

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

3-amino-2,2,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide (PubChem CID 65266755) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
PubChem CID65266755
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-amino-2,2,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
SMILESCn1ccnc1CNC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C12H22N4O/c1-11(2,12(3,4)13)10(17)15-8-9-14-6-7-16(9)5/h6-7H,8,13H2,1-5H3,(H,15,17)
InChIKeyGBVSRWNBUAYFOA-UHFFFAOYSA-N
XLogP0.80
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 76994588
3-chloro-2,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63666126
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
(2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79013544
2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetic acid
CID 63292500
2-(aminomethyl)-4,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
CID 107472140
2-methyl-2-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 61220570
(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
2-(4-chlorophenoxy)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 110441416
(2S)-N-[(2R)-3,3-dimethylbutan-2-yl]-3-methyl-2-[(1-methylimidazol-2-yl)methylamino]butanamide
CID 58012732
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide?
The IUPAC name of 3-amino-2,2,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide (CID 65266755) is 3-amino-2,2,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide?
The canonical SMILES for 3-amino-2,2,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide is Cn1ccnc1CNC(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 3-amino-2,2,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide?
The InChIKey is GBVSRWNBUAYFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-11(2,12(3,4)13)10(17)15-8-9-14-6-7-16(9)5/h6-7H,8,13H2,1-5H3,(H,15,17).
What are the key properties of 3-amino-2,2,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide?
3-amino-2,2,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide has a molecular weight of 238.33 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide is sourced from PubChem (CID 65266755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).