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

C12H22N4O — CID 114290676

IUPAC2-(aminomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
SMILESCCC(C)(CN)C(=O)N(C)Cc1nccn1C
InChIInChI=1S/C12H22N4O/c1-5-12(2,9-13)11(17)16(4)8-10-14-6-7-15(10)3/h6-7H,5,8-9,13H2,1-4H3
InChIKeyHBFVGJFGPCARRA-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.75
Rot. Bonds5

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

2-(aminomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide (PubChem CID 114290676) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
PubChem CID114290676
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-(aminomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
SMILESCCC(C)(CN)C(=O)N(C)Cc1nccn1C
InChIInChI=1S/C12H22N4O/c1-5-12(2,9-13)11(17)16(4)8-10-14-6-7-15(10)3/h6-7H,5,8-9,13H2,1-4H3
InChIKeyHBFVGJFGPCARRA-UHFFFAOYSA-N
XLogP0.75
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 114292968
2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 79805245
2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine
CID 63015159
2-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
CID 107471639
2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63015692
3-(aminomethyl)-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116610902
2-amino-N-cyclopropyl-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79813594
2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 107904600
N-[2-methyl-1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46986800
(Z)-2,3-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-4-oxobut-2-enoic acid
CID 63270410
2-(aminomethyl)-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 114290739
2-N,2,4-trimethyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine
CID 63013012

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide (CID 114290676) is 2-(aminomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide is CCC(C)(CN)C(=O)N(C)Cc1nccn1C.
What is the InChIKey of 2-(aminomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide?
The InChIKey is HBFVGJFGPCARRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-12(2,9-13)11(17)16(4)8-10-14-6-7-15(10)3/h6-7H,5,8-9,13H2,1-4H3.
What are the key properties of 2-(aminomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide?
2-(aminomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide has a molecular weight of 238.33 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide is sourced from PubChem (CID 114290676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).