1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine

C15H26BrN3 — CID 104802941

IUPAC1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine
SMILESCCN(CC)C(C)(CC)C(N)Cc1ccc(Br)cn1
InChIInChI=1S/C15H26BrN3/c1-5-15(4,19(6-2)7-3)14(17)10-13-9-8-12(16)11-18-13/h8-9,11,14H,5-7,10,17H2,1-4H3
InChIKeyGGAROJBQVCGESH-UHFFFAOYSA-N
MW328.30 g/mol
LogP3.22
Rot. Bonds7

About 1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine

1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine (PubChem CID 104802941) has the molecular formula C15H26BrN3 and a molecular weight of 328.30 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine
PubChem CID104802941
Molecular FormulaC15H26BrN3
Molecular Weight328.30 g/mol
Exact Mass327.13
IUPAC Name1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine
SMILESCCN(CC)C(C)(CC)C(N)Cc1ccc(Br)cn1
InChIInChI=1S/C15H26BrN3/c1-5-15(4,19(6-2)7-3)14(17)10-13-9-8-12(16)11-18-13/h8-9,11,14H,5-7,10,17H2,1-4H3
InChIKeyGGAROJBQVCGESH-UHFFFAOYSA-N
XLogP3.22
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N,3-N-diethyl-1-(5-ethyl-2-pyridinyl)-3-methylpentane-2,3-diamine
CID 79747933
1-(5-bromo-2-pyridinyl)-3-ethyl-3-methoxypentan-2-amine
CID 116760732
1-(5-bromo-2-pyridinyl)-3-(dimethylamino)-3-methylpentan-2-ol
CID 104800312
1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
CID 104802873
1-(5-bromo-2-pyridinyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 104802897
1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943
1-(2-chlorophenyl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine
CID 79068977
1-[1-amino-2-(5-bromo-2-pyridinyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 104803081
5-bromo-2-[2-(chloromethyl)-3,3-dimethylbutyl]pyridine
CID 104813393
2-(5-bromo-2-pyridinyl)-1-(1-methylcyclopentyl)ethanamine
CID 105036053
1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine
CID 104803305
2-(5-bromo-2-pyridinyl)-1-cyclohexylethanamine
CID 104801170

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine (CID 104802941) is 1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine is CCN(CC)C(C)(CC)C(N)Cc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine?
The InChIKey is GGAROJBQVCGESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3/c1-5-15(4,19(6-2)7-3)14(17)10-13-9-8-12(16)11-18-13/h8-9,11,14H,5-7,10,17H2,1-4H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine?
1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine has a molecular weight of 328.30 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine is sourced from PubChem (CID 104802941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).