2-(bromomethyl)-N,3,3-trimethyl-N-(pyridin-3-ylmethyl)butan-1-amine

C14H23BrN2 — CID 65015832

IUPAC2-(bromomethyl)-N,3,3-trimethyl-N-(pyridin-3-ylmethyl)butan-1-amine
SMILESCN(Cc1cccnc1)CC(CBr)C(C)(C)C
InChIInChI=1S/C14H23BrN2/c1-14(2,3)13(8-15)11-17(4)10-12-6-5-7-16-9-12/h5-7,9,13H,8,10-11H2,1-4H3
InChIKeyAXBSWJKEBLEBEZ-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.57
Rot. Bonds5

About 2-(bromomethyl)-N,3,3-trimethyl-N-(pyridin-3-ylmethyl)butan-1-amine

2-(bromomethyl)-N,3,3-trimethyl-N-(pyridin-3-ylmethyl)butan-1-amine (PubChem CID 65015832) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 2-(bromomethyl)-N,3,3-trimethyl-N-(pyridin-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2-(bromomethyl)-N,3,3-trimethyl-N-(pyridin-3-ylmethyl)butan-1-amine
PubChem CID65015832
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name2-(bromomethyl)-N,3,3-trimethyl-N-(pyridin-3-ylmethyl)butan-1-amine
SMILESCN(Cc1cccnc1)CC(CBr)C(C)(C)C
InChIInChI=1S/C14H23BrN2/c1-14(2,3)13(8-15)11-17(4)10-12-6-5-7-16-9-12/h5-7,9,13H,8,10-11H2,1-4H3
InChIKeyAXBSWJKEBLEBEZ-UHFFFAOYSA-N
XLogP3.57
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.57
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

3-N-methyl-3-N-(pyridin-3-ylmethyl)propane-1,2,3-triamine
CID 115119904
3-bromo-N-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 61286516
2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine
CID 55247242
2-ethyl-1-N-methyl-1-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 79813886
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505
2-methyl-1-[methyl(pyridin-3-ylmethyl)amino]butan-2-ol
CID 114495365
2-N,3,3-trimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 61324757
1-N,2-N-dimethyl-1-N-(pyridin-3-ylmethyl)pentane-1,2-diamine
CID 62043801
N'-methyl-1-(4-methylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563325
methyl (2S)-2-methyl-3-[methyl(pyridin-3-ylmethyl)amino]propanoate
CID 93035101
2,6-dimethyl-4-[1-[methyl(pyridin-3-ylmethyl)amino]propan-2-yl]phenol
CID 59073565
1-(2-methylpropylamino)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-ol
CID 115474925

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N,3,3-trimethyl-N-(pyridin-3-ylmethyl)butan-1-amine?
The IUPAC name of 2-(bromomethyl)-N,3,3-trimethyl-N-(pyridin-3-ylmethyl)butan-1-amine (CID 65015832) is 2-(bromomethyl)-N,3,3-trimethyl-N-(pyridin-3-ylmethyl)butan-1-amine.
What is the SMILES notation for 2-(bromomethyl)-N,3,3-trimethyl-N-(pyridin-3-ylmethyl)butan-1-amine?
The canonical SMILES for 2-(bromomethyl)-N,3,3-trimethyl-N-(pyridin-3-ylmethyl)butan-1-amine is CN(Cc1cccnc1)CC(CBr)C(C)(C)C.
What is the InChIKey of 2-(bromomethyl)-N,3,3-trimethyl-N-(pyridin-3-ylmethyl)butan-1-amine?
The InChIKey is AXBSWJKEBLEBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-14(2,3)13(8-15)11-17(4)10-12-6-5-7-16-9-12/h5-7,9,13H,8,10-11H2,1-4H3.
What are the key properties of 2-(bromomethyl)-N,3,3-trimethyl-N-(pyridin-3-ylmethyl)butan-1-amine?
2-(bromomethyl)-N,3,3-trimethyl-N-(pyridin-3-ylmethyl)butan-1-amine has a molecular weight of 299.26 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N,3,3-trimethyl-N-(pyridin-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 65015832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).