2-[(3-methylimidazol-4-yl)methylamino]-N-propan-2-ylacetamide

C10H18N4O — CID 62999572

IUPAC2-[(3-methylimidazol-4-yl)methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCc1cncn1C
InChIInChI=1S/C10H18N4O/c1-8(2)13-10(15)6-11-4-9-5-12-7-14(9)3/h5,7-8,11H,4,6H2,1-3H3,(H,13,15)
InChIKeyHTOSCLFWCMSBTD-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.03
Rot. Bonds5

About 2-[(3-methylimidazol-4-yl)methylamino]-N-propan-2-ylacetamide

2-[(3-methylimidazol-4-yl)methylamino]-N-propan-2-ylacetamide (PubChem CID 62999572) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[(3-methylimidazol-4-yl)methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3-methylimidazol-4-yl)methylamino]-N-propan-2-ylacetamide
PubChem CID62999572
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-[(3-methylimidazol-4-yl)methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCc1cncn1C
InChIInChI=1S/C10H18N4O/c1-8(2)13-10(15)6-11-4-9-5-12-7-14(9)3/h5,7-8,11H,4,6H2,1-3H3,(H,13,15)
InChIKeyHTOSCLFWCMSBTD-UHFFFAOYSA-N
XLogP0.03
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide
CID 66132937
N-ethyl-N-methyl-2-[(3-methylimidazol-4-yl)methylamino]acetamide
CID 104923403
2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146319
(2S)-2-[(3-methylimidazol-4-yl)methylamino]propanoic acid
CID 83193799
2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-N-propan-2-ylacetamide
CID 62116961
2-[5-(methylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146321
N,N-dimethyl-2-[(3-methylimidazol-4-yl)methylamino]propanamide
CID 63002220
2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol
CID 66117228
2-[5-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146107
3-methyl-N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine
CID 63001465
2-[5-(aminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146106
2-[(3-methylimidazol-4-yl)methylamino]propane-1,3-diol
CID 66117929

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylimidazol-4-yl)methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3-methylimidazol-4-yl)methylamino]-N-propan-2-ylacetamide (CID 62999572) is 2-[(3-methylimidazol-4-yl)methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3-methylimidazol-4-yl)methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3-methylimidazol-4-yl)methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNCc1cncn1C.
What is the InChIKey of 2-[(3-methylimidazol-4-yl)methylamino]-N-propan-2-ylacetamide?
The InChIKey is HTOSCLFWCMSBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8(2)13-10(15)6-11-4-9-5-12-7-14(9)3/h5,7-8,11H,4,6H2,1-3H3,(H,13,15).
What are the key properties of 2-[(3-methylimidazol-4-yl)methylamino]-N-propan-2-ylacetamide?
2-[(3-methylimidazol-4-yl)methylamino]-N-propan-2-ylacetamide has a molecular weight of 210.28 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylimidazol-4-yl)methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 62999572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).