2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbutanamide

C11H20N4O — CID 64510546

IUPAC2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbutanamide
SMILESCC(C)C(CN)C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C11H20N4O/c1-8(2)9(6-12)11(16)15(3)7-10-13-4-5-14-10/h4-5,8-9H,6-7,12H2,1-3H3,(H,13,14)
InChIKeyHAZMQOZACABGCY-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.60
Rot. Bonds5

About 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbutanamide

2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbutanamide (PubChem CID 64510546) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbutanamide
PubChem CID64510546
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbutanamide
SMILESCC(C)C(CN)C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C11H20N4O/c1-8(2)9(6-12)11(16)15(3)7-10-13-4-5-14-10/h4-5,8-9H,6-7,12H2,1-3H3,(H,13,14)
InChIKeyHAZMQOZACABGCY-UHFFFAOYSA-N
XLogP0.60
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpropanamide
CID 63929546
2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
CID 64512267
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 64511881
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylbutanamide
CID 64517492
6-amino-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylheptanamide
CID 65291202
N-(1H-imidazol-2-ylmethyl)-N,3,4,4-tetramethylpentanamide
CID 63939448
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 106312421
2-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 64511880
1-(1H-imidazol-2-ylmethyl)-1-methylthiourea
CID 64511696
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 64852236
3-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 64518886
cis-(1S,2R)-2-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092427

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbutanamide (CID 64510546) is 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbutanamide is CC(C)C(CN)C(=O)N(C)Cc1ncc[nH]1.
What is the InChIKey of 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbutanamide?
The InChIKey is HAZMQOZACABGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)9(6-12)11(16)15(3)7-10-13-4-5-14-10/h4-5,8-9H,6-7,12H2,1-3H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbutanamide?
2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbutanamide has a molecular weight of 224.31 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 64510546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).