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

C15H26BrN3 — CID 104802873

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

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

1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine (PubChem CID 104802873) 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-2-N,3-dimethylbutane-2,3-diamine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
PubChem CID104802873
Molecular FormulaC15H26BrN3
Molecular Weight328.30 g/mol
Exact Mass327.13
IUPAC Name1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
SMILESCCN(CC)C(C)(C)C(Cc1ccc(Br)cn1)NC
InChIInChI=1S/C15H26BrN3/c1-6-19(7-2)15(3,4)14(17-5)10-13-9-8-12(16)11-18-13/h8-9,11,14,17H,6-7,10H2,1-5H3
InChIKeySBEBQRCYNNIGFK-UHFFFAOYSA-N
XLogP3.10
TPSA28.16 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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-2-pyridinyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 105036466
1-(5-bromo-2-pyridinyl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine
CID 105036270
1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-3-methylpentane-2,3-diamine
CID 104802941
[1-(5-bromo-2-pyridinyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245333
1-(5-bromo-2-pyridinyl)-N-ethyl-3-methyl-3-phenylbutan-2-amine
CID 104801951
1-(5-bromo-2-pyridinyl)-3-ethyl-3-N,3-N-dimethyl-2-N-propylpentane-2,3-diamine
CID 104802996
1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804023
1-(3-bromo-5-fluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
CID 79709303
1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943
2-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine
CID 104810470
1-(5-bromo-2-pyridinyl)-N-methylheptan-2-amine
CID 105036421
2-[(5-bromo-2-pyridinyl)methyl]-N-tert-butylbutan-1-amine
CID 104810480

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine (CID 104802873) is 1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine is CCN(CC)C(C)(C)C(Cc1ccc(Br)cn1)NC.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine?
The InChIKey is SBEBQRCYNNIGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3/c1-6-19(7-2)15(3,4)14(17-5)10-13-9-8-12(16)11-18-13/h8-9,11,14,17H,6-7,10H2,1-5H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine?
1-(5-bromo-2-pyridinyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine has a molecular weight of 328.30 g/mol, XLogP of 3.10, 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-2-N,3-dimethylbutane-2,3-diamine is sourced from PubChem (CID 104802873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).