1-(4-bromo-1-propan-2-ylimidazol-2-yl)-N,N-dimethylmethanamine

C9H16BrN3 — CID 117187504

IUPAC1-(4-bromo-1-propan-2-ylimidazol-2-yl)-N,N-dimethylmethanamine
SMILESCC(C)n1cc(Br)nc1CN(C)C
InChIInChI=1S/C9H16BrN3/c1-7(2)13-5-8(10)11-9(13)6-12(3)4/h5,7H,6H2,1-4H3
InChIKeyVLFRQWASUGOSSU-UHFFFAOYSA-N
MW246.15 g/mol
LogP2.29
Rot. Bonds3

About 1-(4-bromo-1-propan-2-ylimidazol-2-yl)-N,N-dimethylmethanamine

1-(4-bromo-1-propan-2-ylimidazol-2-yl)-N,N-dimethylmethanamine (PubChem CID 117187504) has the molecular formula C9H16BrN3 and a molecular weight of 246.15 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-ylimidazol-2-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylimidazol-2-yl)-N,N-dimethylmethanamine
PubChem CID117187504
Molecular FormulaC9H16BrN3
Molecular Weight246.15 g/mol
Exact Mass245.05
IUPAC Name1-(4-bromo-1-propan-2-ylimidazol-2-yl)-N,N-dimethylmethanamine
SMILESCC(C)n1cc(Br)nc1CN(C)C
InChIInChI=1S/C9H16BrN3/c1-7(2)13-5-8(10)11-9(13)6-12(3)4/h5,7H,6H2,1-4H3
InChIKeyVLFRQWASUGOSSU-UHFFFAOYSA-N
XLogP2.29
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N,N-dimethyl-1-propan-2-ylimidazol-2-amine
CID 117189643
4-[(4-bromo-1-propan-2-ylimidazol-2-yl)methyl]morpholine
CID 117187554
4-bromo-2-ethyl-1-pentan-2-ylimidazole
CID 18516014
1-(4-bromo-1-propan-2-ylimidazol-2-yl)piperidine
CID 117189663
4-bromo-N-cyclopentyl-1-propan-2-ylimidazol-2-amine
CID 117189625
N,N-dimethyl-1-(4-methyl-1-propan-2-ylindol-3-yl)methanamine
CID 117184616
2-ethyl-1-propan-2-ylimidazol-4-ol
CID 13150380
(4-bromo-1-methylimidazol-2-yl)methanethiol
CID 117187457
[3-[(dimethylamino)methyl]-1-propan-2-ylindol-4-yl]methanamine
CID 117171620
2-[2-[(dimethylamino)methyl]-5-methylbenzimidazol-1-yl]butanoic acid
CID 82311003
4-bromo-2-methyl-1-(2-methylpropyl)imidazole
CID 130138605
7-bromo-3-[(dimethylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255480

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylimidazol-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4-bromo-1-propan-2-ylimidazol-2-yl)-N,N-dimethylmethanamine (CID 117187504) is 1-(4-bromo-1-propan-2-ylimidazol-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylimidazol-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylimidazol-2-yl)-N,N-dimethylmethanamine is CC(C)n1cc(Br)nc1CN(C)C.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylimidazol-2-yl)-N,N-dimethylmethanamine?
The InChIKey is VLFRQWASUGOSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN3/c1-7(2)13-5-8(10)11-9(13)6-12(3)4/h5,7H,6H2,1-4H3.
What are the key properties of 1-(4-bromo-1-propan-2-ylimidazol-2-yl)-N,N-dimethylmethanamine?
1-(4-bromo-1-propan-2-ylimidazol-2-yl)-N,N-dimethylmethanamine has a molecular weight of 246.15 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propan-2-ylimidazol-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 117187504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).