3-(5-bromo-3-pyridinyl)-2-methyl-N-propylpropan-1-amine

C12H19BrN2 — CID 104810429

IUPAC3-(5-bromo-3-pyridinyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)Cc1cncc(Br)c1
InChIInChI=1S/C12H19BrN2/c1-3-4-14-7-10(2)5-11-6-12(13)9-15-8-11/h6,8-10,14H,3-5,7H2,1-2H3
InChIKeyJJNGKQODCXBLLG-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.02
Rot. Bonds6

About 3-(5-bromo-3-pyridinyl)-2-methyl-N-propylpropan-1-amine

3-(5-bromo-3-pyridinyl)-2-methyl-N-propylpropan-1-amine (PubChem CID 104810429) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 3-(5-bromo-3-pyridinyl)-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-3-pyridinyl)-2-methyl-N-propylpropan-1-amine
PubChem CID104810429
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name3-(5-bromo-3-pyridinyl)-2-methyl-N-propylpropan-1-amine
SMILESCCCNCC(C)Cc1cncc(Br)c1
InChIInChI=1S/C12H19BrN2/c1-3-4-14-7-10(2)5-11-6-12(13)9-15-8-11/h6,8-10,14H,3-5,7H2,1-2H3
InChIKeyJJNGKQODCXBLLG-UHFFFAOYSA-N
XLogP3.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine
CID 104810425
4-(5-bromo-3-pyridinyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 104813797
3-(5-bromo-3-pyridinyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 104810963
3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine
CID 62531086
3-(5-bromo-3-pyridinyl)-N-propylpropan-1-amine
CID 104810395
1-(5-bromo-3-pyridinyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 104801436
N-[(5-bromo-3-pyridinyl)methyl]-3-chloro-2-methylpropan-1-amine
CID 104811203
1-(5-bromo-3-pyridinyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
CID 104802361
1-(5-bromo-3-pyridinyl)-N-propyldecan-2-amine
CID 105036606
1-(5-bromo-3-pyridinyl)propan-2-ylhydrazine
CID 105201192
N-[2-(5-bromo-3-pyridinyl)-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 113455089
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethyl]propan-1-amine
CID 105036582

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-pyridinyl)-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 3-(5-bromo-3-pyridinyl)-2-methyl-N-propylpropan-1-amine (CID 104810429) is 3-(5-bromo-3-pyridinyl)-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-3-pyridinyl)-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-3-pyridinyl)-2-methyl-N-propylpropan-1-amine is CCCNCC(C)Cc1cncc(Br)c1.
What is the InChIKey of 3-(5-bromo-3-pyridinyl)-2-methyl-N-propylpropan-1-amine?
The InChIKey is JJNGKQODCXBLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-3-4-14-7-10(2)5-11-6-12(13)9-15-8-11/h6,8-10,14H,3-5,7H2,1-2H3.
What are the key properties of 3-(5-bromo-3-pyridinyl)-2-methyl-N-propylpropan-1-amine?
3-(5-bromo-3-pyridinyl)-2-methyl-N-propylpropan-1-amine has a molecular weight of 271.20 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-pyridinyl)-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 104810429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).