N-(3-chloro-2-methylpropyl)-1-methylimidazol-2-amine

C8H14ClN3 — CID 65037048

IUPACN-(3-chloro-2-methylpropyl)-1-methylimidazol-2-amine
SMILESCC(CCl)CNc1nccn1C
InChIInChI=1S/C8H14ClN3/c1-7(5-9)6-11-8-10-3-4-12(8)2/h3-4,7H,5-6H2,1-2H3,(H,10,11)
InChIKeyZFHHPZIJBMMBGC-UHFFFAOYSA-N
MW187.67 g/mol
LogP1.71
Rot. Bonds4

About N-(3-chloro-2-methylpropyl)-1-methylimidazol-2-amine

N-(3-chloro-2-methylpropyl)-1-methylimidazol-2-amine (PubChem CID 65037048) has the molecular formula C8H14ClN3 and a molecular weight of 187.67 g/mol. Its IUPAC name is N-(3-chloro-2-methylpropyl)-1-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylpropyl)-1-methylimidazol-2-amine
PubChem CID65037048
Molecular FormulaC8H14ClN3
Molecular Weight187.67 g/mol
Exact Mass187.09
IUPAC NameN-(3-chloro-2-methylpropyl)-1-methylimidazol-2-amine
SMILESCC(CCl)CNc1nccn1C
InChIInChI=1S/C8H14ClN3/c1-7(5-9)6-11-8-10-3-4-12(8)2/h3-4,7H,5-6H2,1-2H3,(H,10,11)
InChIKeyZFHHPZIJBMMBGC-UHFFFAOYSA-N
XLogP1.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-(2,3,3-trimethylbutyl)imidazol-2-amine
CID 83143894
3-[(1-methylimidazol-2-yl)amino]propane-1,2-diol
CID 66177126
2-tert-butyl-N-(3-chloro-2-methylpropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104733993
3-[(3-chloro-2-methylpropyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 65037499
1-methyl-3-(2-methylbutylamino)pyrazin-2-one
CID 62938700
3-[(3-amino-2-methylpropyl)amino]-1-methylpyrazin-2-one
CID 65034860
1-methyl-N-pentan-3-ylimidazol-2-amine
CID 62132399
2-[(1-methylimidazol-2-yl)amino]-N-propan-2-ylacetamide
CID 62133098
3-[(3-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one
CID 62939228
2-methyl-1-[(1-methylimidazol-2-yl)amino]propan-2-ol
CID 65108978
1-N,1-N-dimethyl-2-N-(1-methylimidazol-2-yl)propane-1,2-diamine
CID 82937558
1-methyl-N-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine
CID 62133475

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylpropyl)-1-methylimidazol-2-amine?
The IUPAC name of N-(3-chloro-2-methylpropyl)-1-methylimidazol-2-amine (CID 65037048) is N-(3-chloro-2-methylpropyl)-1-methylimidazol-2-amine.
What is the SMILES notation for N-(3-chloro-2-methylpropyl)-1-methylimidazol-2-amine?
The canonical SMILES for N-(3-chloro-2-methylpropyl)-1-methylimidazol-2-amine is CC(CCl)CNc1nccn1C.
What is the InChIKey of N-(3-chloro-2-methylpropyl)-1-methylimidazol-2-amine?
The InChIKey is ZFHHPZIJBMMBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3/c1-7(5-9)6-11-8-10-3-4-12(8)2/h3-4,7H,5-6H2,1-2H3,(H,10,11).
What are the key properties of N-(3-chloro-2-methylpropyl)-1-methylimidazol-2-amine?
N-(3-chloro-2-methylpropyl)-1-methylimidazol-2-amine has a molecular weight of 187.67 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylpropyl)-1-methylimidazol-2-amine is sourced from PubChem (CID 65037048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).