2-[(5-bromo-2-pyridinyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine

C15H25BrN2 — CID 104810948

IUPAC2-[(5-bromo-2-pyridinyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNCC(C)(Cc1ccc(Br)cn1)C(C)C
InChIInChI=1S/C15H25BrN2/c1-5-8-17-11-15(4,12(2)3)9-14-7-6-13(16)10-18-14/h6-7,10,12,17H,5,8-9,11H2,1-4H3
InChIKeyIRIIDUUMDALXLR-UHFFFAOYSA-N
MW313.28 g/mol
LogP4.05
Rot. Bonds7

About 2-[(5-bromo-2-pyridinyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine

2-[(5-bromo-2-pyridinyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine (PubChem CID 104810948) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine
PubChem CID104810948
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC Name2-[(5-bromo-2-pyridinyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine
SMILESCCCNCC(C)(Cc1ccc(Br)cn1)C(C)C
InChIInChI=1S/C15H25BrN2/c1-5-8-17-11-15(4,12(2)3)9-14-7-6-13(16)10-18-14/h6-7,10,12,17H,5,8-9,11H2,1-4H3
InChIKeyIRIIDUUMDALXLR-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 54.05
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

4-(5-bromo-2-pyridinyl)-N-propylbutan-2-amine
CID 104799854
2,3-dimethyl-2-[(1-methyltriazol-4-yl)methyl]-N-propylbutan-1-amine
CID 107053556
2-[(5-bromo-2-pyridinyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 104810681
2,3-dimethyl-N-propyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine
CID 83160211
2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine
CID 83160212
N-[[4-[(5-bromo-2-pyridinyl)methylsulfanyl]phenyl]methyl]propan-1-amine
CID 104811524
N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine
CID 62662670
2-[(5-bromo-2-pyridinyl)methyl]-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine
CID 102641763
(E)-5-(5-bromo-2-pyridinyl)-N-propylpent-3-en-1-amine
CID 104813629
2-[(2,5-dimethylphenyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine
CID 83160491
1-(5-bromo-2-pyridinyl)-3-ethyl-3-N,3-N-dimethyl-2-N-propylpentane-2,3-diamine
CID 104802996
N-[[1-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 104810723

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine (CID 104810948) is 2-[(5-bromo-2-pyridinyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine is CCCNCC(C)(Cc1ccc(Br)cn1)C(C)C.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine?
The InChIKey is IRIIDUUMDALXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-5-8-17-11-15(4,12(2)3)9-14-7-6-13(16)10-18-14/h6-7,10,12,17H,5,8-9,11H2,1-4H3.
What are the key properties of 2-[(5-bromo-2-pyridinyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine?
2-[(5-bromo-2-pyridinyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine has a molecular weight of 313.28 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine is sourced from PubChem (CID 104810948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).