N-(3-bromopropyl)-3-imidazol-1-yl-N-propan-2-ylpropan-1-amine

C12H22BrN3 — CID 80679358

IUPACN-(3-bromopropyl)-3-imidazol-1-yl-N-propan-2-ylpropan-1-amine
SMILESCC(C)N(CCCBr)CCCn1ccnc1
InChIInChI=1S/C12H22BrN3/c1-12(2)16(8-3-5-13)9-4-7-15-10-6-14-11-15/h6,10-12H,3-5,7-9H2,1-2H3
InChIKeyBTZZEIVJHIOTFM-UHFFFAOYSA-N
MW288.23 g/mol
LogP2.77
Rot. Bonds8

About N-(3-bromopropyl)-3-imidazol-1-yl-N-propan-2-ylpropan-1-amine

N-(3-bromopropyl)-3-imidazol-1-yl-N-propan-2-ylpropan-1-amine (PubChem CID 80679358) has the molecular formula C12H22BrN3 and a molecular weight of 288.23 g/mol. Its IUPAC name is N-(3-bromopropyl)-3-imidazol-1-yl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-(3-bromopropyl)-3-imidazol-1-yl-N-propan-2-ylpropan-1-amine
PubChem CID80679358
Molecular FormulaC12H22BrN3
Molecular Weight288.23 g/mol
Exact Mass287.10
IUPAC NameN-(3-bromopropyl)-3-imidazol-1-yl-N-propan-2-ylpropan-1-amine
SMILESCC(C)N(CCCBr)CCCn1ccnc1
InChIInChI=1S/C12H22BrN3/c1-12(2)16(8-3-5-13)9-4-7-15-10-6-14-11-15/h6,10-12H,3-5,7-9H2,1-2H3
InChIKeyBTZZEIVJHIOTFM-UHFFFAOYSA-N
XLogP2.77
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-bromopropyl)-3-imidazol-1-yl-N-propan-2-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol
CID 62334128
3-imidazol-1-yl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 106637470
1-bromo-N-(3-imidazol-1-ylpropyl)-3-methylbutan-2-amine
CID 107859114
2-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]acetic acid
CID 63065726
N-(3-imidazol-1-ylpropyl)-N,4-dimethylpyrimidin-2-amine
CID 133376553
1-(7-methyloctyl)imidazole
CID 59001100
2-[3-imidazol-1-ylpropyl(methyl)amino]-N,N-dimethylpropanamide
CID 84592025
3-[2,3-dihydroxypropyl(3-imidazol-1-ylpropyl)amino]propane-1,2-diol
CID 71321684
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylprop-2-en-1-amine
CID 75435415
1-[3-[[methyl(propan-2-yl)sulfamoyl]amino]propyl]imidazole
CID 56812922
N'-hydroxy-3-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]propanimidamide
CID 76917250

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-3-imidazol-1-yl-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-(3-bromopropyl)-3-imidazol-1-yl-N-propan-2-ylpropan-1-amine (CID 80679358) is N-(3-bromopropyl)-3-imidazol-1-yl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-(3-bromopropyl)-3-imidazol-1-yl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-(3-bromopropyl)-3-imidazol-1-yl-N-propan-2-ylpropan-1-amine is CC(C)N(CCCBr)CCCn1ccnc1.
What is the InChIKey of N-(3-bromopropyl)-3-imidazol-1-yl-N-propan-2-ylpropan-1-amine?
The InChIKey is BTZZEIVJHIOTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrN3/c1-12(2)16(8-3-5-13)9-4-7-15-10-6-14-11-15/h6,10-12H,3-5,7-9H2,1-2H3.
What are the key properties of N-(3-bromopropyl)-3-imidazol-1-yl-N-propan-2-ylpropan-1-amine?
N-(3-bromopropyl)-3-imidazol-1-yl-N-propan-2-ylpropan-1-amine has a molecular weight of 288.23 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-3-imidazol-1-yl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 80679358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).