5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine

C14H24BrN3O — CID 55059305

IUPAC5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cc(Br)cnc1N(C)C(C)COC
InChIInChI=1S/C14H24BrN3O/c1-5-6-16-8-12-7-13(15)9-17-14(12)18(3)11(2)10-19-4/h7,9,11,16H,5-6,8,10H2,1-4H3
InChIKeyRSHNDGGSFJXGLL-UHFFFAOYSA-N
MW330.27 g/mol
LogP2.81
Rot. Bonds8

About 5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine

5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine (PubChem CID 55059305) has the molecular formula C14H24BrN3O and a molecular weight of 330.27 g/mol. Its IUPAC name is 5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
PubChem CID55059305
Molecular FormulaC14H24BrN3O
Molecular Weight330.27 g/mol
Exact Mass329.11
IUPAC Name5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cc(Br)cnc1N(C)C(C)COC
InChIInChI=1S/C14H24BrN3O/c1-5-6-16-8-12-7-13(15)9-17-14(12)18(3)11(2)10-19-4/h7,9,11,16H,5-6,8,10H2,1-4H3
InChIKeyRSHNDGGSFJXGLL-UHFFFAOYSA-N
XLogP2.81
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-methyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine
CID 62285133
5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 55059195
5-bromo-N,N-dipropyl-3-(propylaminomethyl)pyridin-2-amine
CID 62285283
5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 62287274
5-bromo-3-[(tert-butylamino)methyl]-N-methyl-N-pentan-2-ylpyridin-2-amine
CID 62283114
5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82952628
5-bromo-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine
CID 63487902
N-[[5-bromo-2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82005379
5-bromo-N-ethyl-N-(2-methylprop-2-enyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62281050
5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
CID 63025670
5-bromo-N-methyl-N-(oxolan-3-yl)-3-(propylaminomethyl)pyridin-2-amine
CID 82754864
5-bromo-N-methyl-N-(oxan-4-ylmethyl)-3-(propylaminomethyl)pyridin-2-amine
CID 63708114

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine (CID 55059305) is 5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine is CCCNCc1cc(Br)cnc1N(C)C(C)COC.
What is the InChIKey of 5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine?
The InChIKey is RSHNDGGSFJXGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O/c1-5-6-16-8-12-7-13(15)9-17-14(12)18(3)11(2)10-19-4/h7,9,11,16H,5-6,8,10H2,1-4H3.
What are the key properties of 5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine?
5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine has a molecular weight of 330.27 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 55059305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).