3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine

C10H15BrN2 — CID 61286516

IUPAC3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESCN(CCCBr)Cc1cccnc1
InChIInChI=1S/C10H15BrN2/c1-13(7-3-5-11)9-10-4-2-6-12-8-10/h2,4,6,8H,3,5,7,9H2,1H3
InChIKeyJKGXKLHDBOVACT-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.30
Rot. Bonds5

About 3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine

3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine (PubChem CID 61286516) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
PubChem CID61286516
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESCN(CCCBr)Cc1cccnc1
InChIInChI=1S/C10H15BrN2/c1-13(7-3-5-11)9-10-4-2-6-12-8-10/h2,4,6,8H,3,5,7,9H2,1H3
InChIKeyJKGXKLHDBOVACT-UHFFFAOYSA-N
XLogP2.30
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.30
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'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505
N-benzyl-3-bromo-N-methylpropan-1-amine
CID 61288943
sodium;hydride;5-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 173402275
4-[methyl(pyridin-3-ylmethyl)amino]butanehydrazide
CID 63571806
1-(4-fluorophenyl)-4-[methyl(pyridin-3-ylmethyl)amino]butan-1-one
CID 60692668
2-[tert-butyl(dimethyl)silyl]oxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine
CID 139923552
N-(5-bromopentyl)-N-methyl-2-pyridin-3-ylacetamide
CID 58870383
N'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62560428
N-(3-ethoxypropyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62560243
N-methyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 2055754
1-N-methyl-4-N-propyl-1-N-(pyridin-3-ylmethyl)hexane-1,4-diamine
CID 106799376

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine?
The IUPAC name of 3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine (CID 61286516) is 3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine is CN(CCCBr)Cc1cccnc1.
What is the InChIKey of 3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine?
The InChIKey is JKGXKLHDBOVACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-13(7-3-5-11)9-10-4-2-6-12-8-10/h2,4,6,8H,3,5,7,9H2,1H3.
What are the key properties of 3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine?
3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine has a molecular weight of 243.15 g/mol, XLogP of 2.30, 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-(pyridin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 61286516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).