3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine

C10H21BrN2 — CID 63274032

IUPAC3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
SMILESCN(CCCBr)CC1CCN(C)C1
InChIInChI=1S/C10H21BrN2/c1-12(6-3-5-11)8-10-4-7-13(2)9-10/h10H,3-9H2,1-2H3
InChIKeyVIOSYUYJCSOGBW-UHFFFAOYSA-N
MW249.20 g/mol
LogP1.65
Rot. Bonds5

About 3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine

3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine (PubChem CID 63274032) has the molecular formula C10H21BrN2 and a molecular weight of 249.20 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
PubChem CID63274032
Molecular FormulaC10H21BrN2
Molecular Weight249.20 g/mol
Exact Mass248.09
IUPAC Name3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
SMILESCN(CCCBr)CC1CCN(C)C1
InChIInChI=1S/C10H21BrN2/c1-12(6-3-5-11)8-10-4-7-13(2)9-10/h10H,3-9H2,1-2H3
InChIKeyVIOSYUYJCSOGBW-UHFFFAOYSA-N
XLogP1.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-piperidin-4-ylpropan-1-amine
CID 63274728
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylpropane-1,3-diamine
CID 63275954
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 55172392
1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]hexane-1,4-diamine
CID 106799840
N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63276040
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylbutane-1,4-diamine
CID 63274674
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]but-3-yn-1-amine
CID 63657455
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,5-diamine
CID 63274496
4-bromo-N-(cyclopropylmethyl)-N-methylbutan-1-amine
CID 61287552
2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-2-ol
CID 79360191
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
2-azido-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 63273734

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine?
The IUPAC name of 3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine (CID 63274032) is 3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine?
The canonical SMILES for 3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine is CN(CCCBr)CC1CCN(C)C1.
What is the InChIKey of 3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine?
The InChIKey is VIOSYUYJCSOGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrN2/c1-12(6-3-5-11)8-10-4-7-13(2)9-10/h10H,3-9H2,1-2H3.
What are the key properties of 3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine?
3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine has a molecular weight of 249.20 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 63274032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).