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

C15H25BrN2 — CID 113455860

IUPAC2-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(Cc1ccc(Br)cn1)C(C)(C)C
InChIInChI=1S/C15H25BrN2/c1-11(2)17-9-12(15(3,4)5)8-14-7-6-13(16)10-18-14/h6-7,10-12,17H,8-9H2,1-5H3
InChIKeyLEZPNVWFEOSEDK-UHFFFAOYSA-N
MW313.28 g/mol
LogP4.05
Rot. Bonds5

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

2-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine (PubChem CID 113455860) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine
PubChem CID113455860
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC Name2-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(Cc1ccc(Br)cn1)C(C)(C)C
InChIInChI=1S/C15H25BrN2/c1-11(2)17-9-12(15(3,4)5)8-14-7-6-13(16)10-18-14/h6-7,10-12,17H,8-9H2,1-5H3
InChIKeyLEZPNVWFEOSEDK-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

Analyze 2-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine with MolForge

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Related Compounds

5-bromo-2-[2-(chloromethyl)-3,3-dimethylbutyl]pyridine
CID 104813393
1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943
[1-(5-bromo-2-pyridinyl)-3-methylbutan-2-yl]hydrazine
CID 105199530
3-(5-bromo-2-pyridinyl)-N-propan-2-ylpropan-1-amine
CID 104810396
3-(5-bromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 104810436
2-[(5-bromo-2-pyridinyl)methyl]-N-tert-butylbutan-1-amine
CID 104810480
5-bromo-2-(3-chloro-2-methylpropyl)pyridine
CID 104813254
1-(5-bromo-2-pyridinyl)-3-methylpentan-2-ol
CID 104800109
1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804023
2-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine
CID 104810470
3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 105036466
1-(5-bromo-2-pyridinyl)-N-ethyl-3-methyl-3-phenylbutan-2-amine
CID 104801951

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine (CID 113455860) is 2-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine is CC(C)NCC(Cc1ccc(Br)cn1)C(C)(C)C.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine?
The InChIKey is LEZPNVWFEOSEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-11(2)17-9-12(15(3,4)5)8-14-7-6-13(16)10-18-14/h6-7,10-12,17H,8-9H2,1-5H3.
What are the key properties of 2-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine?
2-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine has a molecular weight of 313.28 g/mol, XLogP of 4.05, 5 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]-3,3-dimethyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 113455860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).