2-methyl-N-[3-[4-(methylaminomethyl)imidazol-1-yl]propyl]propanamide

C12H22N4O — CID 142616156

IUPAC2-methyl-N-[3-[4-(methylaminomethyl)imidazol-1-yl]propyl]propanamide
SMILESCNCc1cn(CCCNC(=O)C(C)C)cn1
InChIInChI=1S/C12H22N4O/c1-10(2)12(17)14-5-4-6-16-8-11(7-13-3)15-9-16/h8-10,13H,4-7H2,1-3H3,(H,14,17)
InChIKeyIRDXSRSDZWIKGM-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.76
Rot. Bonds7

About 2-methyl-N-[3-[4-(methylaminomethyl)imidazol-1-yl]propyl]propanamide

2-methyl-N-[3-[4-(methylaminomethyl)imidazol-1-yl]propyl]propanamide (PubChem CID 142616156) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methyl-N-[3-[4-(methylaminomethyl)imidazol-1-yl]propyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[4-(methylaminomethyl)imidazol-1-yl]propyl]propanamide
PubChem CID142616156
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-methyl-N-[3-[4-(methylaminomethyl)imidazol-1-yl]propyl]propanamide
SMILESCNCc1cn(CCCNC(=O)C(C)C)cn1
InChIInChI=1S/C12H22N4O/c1-10(2)12(17)14-5-4-6-16-8-11(7-13-3)15-9-16/h8-10,13H,4-7H2,1-3H3,(H,14,17)
InChIKeyIRDXSRSDZWIKGM-UHFFFAOYSA-N
XLogP0.76
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]propyl]acetamide
CID 155582672
N-[3-[4-[(tert-butylamino)methyl]imidazol-1-yl]propyl]-2,2-dimethylpropanamide
CID 176596322
ethane;2-methyl-N-[(1-methylimidazol-4-yl)methyl]propanamide
CID 176932121
2-methyl-4-[4-(methylaminomethyl)imidazol-1-yl]butan-2-ol
CID 106718552
1-[1-(2-ethylsulfanylethyl)imidazol-4-yl]-N-methylmethanamine
CID 106718518
4-[4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-ol
CID 79985168
1-[1-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]-N-methylmethanamine
CID 106718477
methyl 2-[2-[[4-(methylaminomethyl)imidazol-1-yl]methyl]phenyl]acetate
CID 106718494
1-[1-(2,2-difluoroethyl)imidazol-4-yl]-N-methylmethanamine
CID 106718378
N-butyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 106719404
3-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-1-ol
CID 106720107
5-[4-(propylaminomethyl)imidazol-1-yl]pentanamide
CID 114281742

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[4-(methylaminomethyl)imidazol-1-yl]propyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[4-(methylaminomethyl)imidazol-1-yl]propyl]propanamide (CID 142616156) is 2-methyl-N-[3-[4-(methylaminomethyl)imidazol-1-yl]propyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[4-(methylaminomethyl)imidazol-1-yl]propyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[4-(methylaminomethyl)imidazol-1-yl]propyl]propanamide is CNCc1cn(CCCNC(=O)C(C)C)cn1.
What is the InChIKey of 2-methyl-N-[3-[4-(methylaminomethyl)imidazol-1-yl]propyl]propanamide?
The InChIKey is IRDXSRSDZWIKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10(2)12(17)14-5-4-6-16-8-11(7-13-3)15-9-16/h8-10,13H,4-7H2,1-3H3,(H,14,17).
What are the key properties of 2-methyl-N-[3-[4-(methylaminomethyl)imidazol-1-yl]propyl]propanamide?
2-methyl-N-[3-[4-(methylaminomethyl)imidazol-1-yl]propyl]propanamide has a molecular weight of 238.33 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[4-(methylaminomethyl)imidazol-1-yl]propyl]propanamide is sourced from PubChem (CID 142616156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).