5-bromo-N-ethyl-N-(2-methylprop-2-enyl)-3-(propylaminomethyl)pyridin-2-amine

C15H24BrN3 — CID 62281050

IUPAC5-bromo-N-ethyl-N-(2-methylprop-2-enyl)-3-(propylaminomethyl)pyridin-2-amine
SMILESC=C(C)CN(CC)c1ncc(Br)cc1CNCCC
InChIInChI=1S/C15H24BrN3/c1-5-7-17-9-13-8-14(16)10-18-15(13)19(6-2)11-12(3)4/h8,10,17H,3,5-7,9,11H2,1-2,4H3
InChIKeyHLOCUWXFPALDFM-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.75
Rot. Bonds8

About 5-bromo-N-ethyl-N-(2-methylprop-2-enyl)-3-(propylaminomethyl)pyridin-2-amine

5-bromo-N-ethyl-N-(2-methylprop-2-enyl)-3-(propylaminomethyl)pyridin-2-amine (PubChem CID 62281050) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-(2-methylprop-2-enyl)-3-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-(2-methylprop-2-enyl)-3-(propylaminomethyl)pyridin-2-amine
PubChem CID62281050
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name5-bromo-N-ethyl-N-(2-methylprop-2-enyl)-3-(propylaminomethyl)pyridin-2-amine
SMILESC=C(C)CN(CC)c1ncc(Br)cc1CNCCC
InChIInChI=1S/C15H24BrN3/c1-5-7-17-9-13-8-14(16)10-18-15(13)19(6-2)11-12(3)4/h8,10,17H,3,5-7,9,11H2,1-2,4H3
InChIKeyHLOCUWXFPALDFM-UHFFFAOYSA-N
XLogP3.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N,N-dipropyl-3-(propylaminomethyl)pyridin-2-amine
CID 62285283
5-bromo-N-methyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine
CID 62285133
5-bromo-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine
CID 63487902
5-bromo-N-(1-methoxypropan-2-yl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 55059305
5-bromo-N-methyl-N-(oxan-4-ylmethyl)-3-(propylaminomethyl)pyridin-2-amine
CID 63708114
5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 55059195
5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62287912
5-bromo-3-(methylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 55054995
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-ethyl-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 55055106
5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62282729

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-(2-methylprop-2-enyl)-3-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-N-(2-methylprop-2-enyl)-3-(propylaminomethyl)pyridin-2-amine (CID 62281050) is 5-bromo-N-ethyl-N-(2-methylprop-2-enyl)-3-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-N-(2-methylprop-2-enyl)-3-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-N-(2-methylprop-2-enyl)-3-(propylaminomethyl)pyridin-2-amine is C=C(C)CN(CC)c1ncc(Br)cc1CNCCC.
What is the InChIKey of 5-bromo-N-ethyl-N-(2-methylprop-2-enyl)-3-(propylaminomethyl)pyridin-2-amine?
The InChIKey is HLOCUWXFPALDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-5-7-17-9-13-8-14(16)10-18-15(13)19(6-2)11-12(3)4/h8,10,17H,3,5-7,9,11H2,1-2,4H3.
What are the key properties of 5-bromo-N-ethyl-N-(2-methylprop-2-enyl)-3-(propylaminomethyl)pyridin-2-amine?
5-bromo-N-ethyl-N-(2-methylprop-2-enyl)-3-(propylaminomethyl)pyridin-2-amine has a molecular weight of 326.28 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-(2-methylprop-2-enyl)-3-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62281050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).