2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylprop-2-en-1-amine

C10H16BrN3 — CID 75435415

IUPAC2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylprop-2-en-1-amine
SMILESC=C(Br)CN(C)CCCn1ccnc1
InChIInChI=1S/C10H16BrN3/c1-10(11)8-13(2)5-3-6-14-7-4-12-9-14/h4,7,9H,1,3,5-6,8H2,2H3
InChIKeyGGSTZGRKINMYDB-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.11
Rot. Bonds6

About 2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylprop-2-en-1-amine

2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylprop-2-en-1-amine (PubChem CID 75435415) has the molecular formula C10H16BrN3 and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylprop-2-en-1-amine
PubChem CID75435415
Molecular FormulaC10H16BrN3
Molecular Weight258.16 g/mol
Exact Mass257.05
IUPAC Name2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylprop-2-en-1-amine
SMILESC=C(Br)CN(C)CCCn1ccnc1
InChIInChI=1S/C10H16BrN3/c1-10(11)8-13(2)5-3-6-14-7-4-12-9-14/h4,7,9H,1,3,5-6,8H2,2H3
InChIKeyGGSTZGRKINMYDB-UHFFFAOYSA-N
XLogP2.11
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol
CID 62334128
3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid
CID 61492835
N'-(3-imidazol-1-ylpropyl)-N'-methylpentane-1,5-diamine
CID 107207249
3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]phenol
CID 71176034
2-bromo-N-(2-imidazol-1-ylethyl)prop-2-en-1-amine
CID 61462752
2-[3-imidazol-1-ylpropyl(methyl)amino]-N,N-dimethylpropanamide
CID 84592025
N-(3-bromopropyl)-3-imidazol-1-yl-N-propan-2-ylpropan-1-amine
CID 80679358
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
2-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]pyridine-4-carboxylic acid
CID 126755730
N-[2-(4-chlorophenoxy)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine
CID 18349582
2-[3-imidazol-1-ylpropyl(2-methylpropyl)amino]acetic acid
CID 63065726
2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylcyclohexan-1-amine
CID 102637243

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylprop-2-en-1-amine (CID 75435415) is 2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylprop-2-en-1-amine is C=C(Br)CN(C)CCCn1ccnc1.
What is the InChIKey of 2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylprop-2-en-1-amine?
The InChIKey is GGSTZGRKINMYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3/c1-10(11)8-13(2)5-3-6-14-7-4-12-9-14/h4,7,9H,1,3,5-6,8H2,2H3.
What are the key properties of 2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylprop-2-en-1-amine?
2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylprop-2-en-1-amine has a molecular weight of 258.16 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 75435415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).