3-(5-bromo-2-pyridinyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine

C13H22BrN3 — CID 113455051

IUPAC3-(5-bromo-2-pyridinyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
SMILESCCCNC(Cc1ccc(Br)cn1)CN(C)C
InChIInChI=1S/C13H22BrN3/c1-4-7-15-13(10-17(2)3)8-12-6-5-11(14)9-16-12/h5-6,9,13,15H,4,7-8,10H2,1-3H3
InChIKeyIQAPPFVKMAGCSZ-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.32
Rot. Bonds7

About 3-(5-bromo-2-pyridinyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine

3-(5-bromo-2-pyridinyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine (PubChem CID 113455051) has the molecular formula C13H22BrN3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
PubChem CID113455051
Molecular FormulaC13H22BrN3
Molecular Weight300.24 g/mol
Exact Mass299.10
IUPAC Name3-(5-bromo-2-pyridinyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
SMILESCCCNC(Cc1ccc(Br)cn1)CN(C)C
InChIInChI=1S/C13H22BrN3/c1-4-7-15-13(10-17(2)3)8-12-6-5-11(14)9-16-12/h5-6,9,13,15H,4,7-8,10H2,1-3H3
InChIKeyIQAPPFVKMAGCSZ-UHFFFAOYSA-N
XLogP2.32
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-pyridinyl)-N-propylnonan-2-amine
CID 105036225
1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine
CID 104801214
1-(5-bromo-2-pyridinyl)-3-cyclohexyl-N-propylpropan-2-amine
CID 105036172
1-(5-bromo-2-pyridinyl)-3-ethyl-3-N,3-N-dimethyl-2-N-propylpentane-2,3-diamine
CID 104802996
1-(5-bromo-2-pyridinyl)-3-(3-ethoxycyclobutyl)-N-propylpropan-2-amine
CID 103169479
1-(5-bromo-2-pyridinyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 104803952
1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)-N-propylpropan-2-amine
CID 104801503
1-N,1-N-dimethyl-3-(1-methylpyrazol-3-yl)-2-N-propylpropane-1,2-diamine
CID 82877837
2-N-ethyl-3-(5-ethyl-2-pyridinyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79748096
3-(5-bromo-2-fluorophenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79093212
N-[2-(5-bromo-2-pyridinyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107946720
4-(5-bromo-2-pyridinyl)-N-propylbutan-2-amine
CID 104799854

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine (CID 113455051) is 3-(5-bromo-2-pyridinyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine is CCCNC(Cc1ccc(Br)cn1)CN(C)C.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine?
The InChIKey is IQAPPFVKMAGCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3/c1-4-7-15-13(10-17(2)3)8-12-6-5-11(14)9-16-12/h5-6,9,13,15H,4,7-8,10H2,1-3H3.
What are the key properties of 3-(5-bromo-2-pyridinyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine?
3-(5-bromo-2-pyridinyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine has a molecular weight of 300.24 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine is sourced from PubChem (CID 113455051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).