N-methyl-3-[2-(trichloromethyl)imidazol-1-yl]propan-1-amine

C8H12Cl3N3 — CID 82559211

IUPACN-methyl-3-[2-(trichloromethyl)imidazol-1-yl]propan-1-amine
SMILESCNCCCn1ccnc1C(Cl)(Cl)Cl
InChIInChI=1S/C8H12Cl3N3/c1-12-3-2-5-14-6-4-13-7(14)8(9,10)11/h4,6,12H,2-3,5H2,1H3
InChIKeySLQAFODKKDTYCV-UHFFFAOYSA-N
MW256.56 g/mol
LogP2.32
Rot. Bonds4

About N-methyl-3-[2-(trichloromethyl)imidazol-1-yl]propan-1-amine

N-methyl-3-[2-(trichloromethyl)imidazol-1-yl]propan-1-amine (PubChem CID 82559211) has the molecular formula C8H12Cl3N3 and a molecular weight of 256.56 g/mol. Its IUPAC name is N-methyl-3-[2-(trichloromethyl)imidazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[2-(trichloromethyl)imidazol-1-yl]propan-1-amine
PubChem CID82559211
Molecular FormulaC8H12Cl3N3
Molecular Weight256.56 g/mol
Exact Mass255.01
IUPAC NameN-methyl-3-[2-(trichloromethyl)imidazol-1-yl]propan-1-amine
SMILESCNCCCn1ccnc1C(Cl)(Cl)Cl
InChIInChI=1S/C8H12Cl3N3/c1-12-3-2-5-14-6-4-13-7(14)8(9,10)11/h4,6,12H,2-3,5H2,1H3
InChIKeySLQAFODKKDTYCV-UHFFFAOYSA-N
XLogP2.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.56
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine
CID 61387413
3-[2-(3,4-dichlorophenyl)imidazol-1-yl]-N-methylpropan-1-amine
CID 82559619
N-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine
CID 82559024
N-methyl-3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine
CID 82558274
N-methyl-3-[2-(2-phenoxyethyl)imidazol-1-yl]propan-1-amine
CID 82558328
3-(2-methylimidazol-1-yl)propylhydrazine
CID 123546273
N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762044
N-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]ethanamine
CID 82558989
ethane;N'-[3-(2-methylimidazol-1-yl)propyl]methanediamine
CID 155737124
2-(1-ethylimidazol-2-yl)-1-(methylamino)propan-2-ol
CID 66038409
1-dodecyl-N-methylimidazol-2-amine
CID 57016020
3-(1-propylimidazol-2-yl)pentan-3-ol
CID 63974999

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-(trichloromethyl)imidazol-1-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[2-(trichloromethyl)imidazol-1-yl]propan-1-amine (CID 82559211) is N-methyl-3-[2-(trichloromethyl)imidazol-1-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[2-(trichloromethyl)imidazol-1-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[2-(trichloromethyl)imidazol-1-yl]propan-1-amine is CNCCCn1ccnc1C(Cl)(Cl)Cl.
What is the InChIKey of N-methyl-3-[2-(trichloromethyl)imidazol-1-yl]propan-1-amine?
The InChIKey is SLQAFODKKDTYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl3N3/c1-12-3-2-5-14-6-4-13-7(14)8(9,10)11/h4,6,12H,2-3,5H2,1H3.
What are the key properties of N-methyl-3-[2-(trichloromethyl)imidazol-1-yl]propan-1-amine?
N-methyl-3-[2-(trichloromethyl)imidazol-1-yl]propan-1-amine has a molecular weight of 256.56 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-(trichloromethyl)imidazol-1-yl]propan-1-amine is sourced from PubChem (CID 82559211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).