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

C13H22BrN3 — CID 62285133

IUPAC5-bromo-N-methyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cc(Br)cnc1N(C)C(C)C
InChIInChI=1S/C13H22BrN3/c1-5-6-15-8-11-7-12(14)9-16-13(11)17(4)10(2)3/h7,9-10,15H,5-6,8H2,1-4H3
InChIKeyPSNDXCLHLKJJQT-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.19
Rot. Bonds6

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

5-bromo-N-methyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine (PubChem CID 62285133) has the molecular formula C13H22BrN3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine
PubChem CID62285133
Molecular FormulaC13H22BrN3
Molecular Weight300.24 g/mol
Exact Mass299.10
IUPAC Name5-bromo-N-methyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cc(Br)cnc1N(C)C(C)C
InChIInChI=1S/C13H22BrN3/c1-5-6-15-8-11-7-12(14)9-16-13(11)17(4)10(2)3/h7,9-10,15H,5-6,8H2,1-4H3
InChIKeyPSNDXCLHLKJJQT-UHFFFAOYSA-N
XLogP3.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 55059305
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-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine
CID 63487902
5-bromo-3-[(tert-butylamino)methyl]-N-methyl-N-pentan-2-ylpyridin-2-amine
CID 62283114
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-(oxan-4-ylmethyl)-3-(propylaminomethyl)pyridin-2-amine
CID 63708114
5-bromo-N-methyl-N-(oxolan-3-yl)-3-(propylaminomethyl)pyridin-2-amine
CID 82754864
5-bromo-3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 62278735
5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
CID 63274618
5-bromo-3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82952628

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine (CID 62285133) is 5-bromo-N-methyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine is CCCNCc1cc(Br)cnc1N(C)C(C)C.
What is the InChIKey of 5-bromo-N-methyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine?
The InChIKey is PSNDXCLHLKJJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3/c1-5-6-15-8-11-7-12(14)9-16-13(11)17(4)10(2)3/h7,9-10,15H,5-6,8H2,1-4H3.
What are the key properties of 5-bromo-N-methyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine?
5-bromo-N-methyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine has a molecular weight of 300.24 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62285133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).