N-(5-bromo-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine

C9H14BrN3 — CID 30052087

IUPACN-(5-bromo-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccc(Br)cn1
InChIInChI=1S/C9H14BrN3/c1-13(2)6-5-11-9-4-3-8(10)7-12-9/h3-4,7H,5-6H2,1-2H3,(H,11,12)
InChIKeyYZNKVSIFLBFINU-UHFFFAOYSA-N
MW244.14 g/mol
LogP1.82
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine

N-(5-bromo-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 30052087) has the molecular formula C9H14BrN3 and a molecular weight of 244.14 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID30052087
Molecular FormulaC9H14BrN3
Molecular Weight244.14 g/mol
Exact Mass243.04
IUPAC NameN-(5-bromo-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccc(Br)cn1
InChIInChI=1S/C9H14BrN3/c1-13(2)6-5-11-9-4-3-8(10)7-12-9/h3-4,7H,5-6H2,1-2H3,(H,11,12)
InChIKeyYZNKVSIFLBFINU-UHFFFAOYSA-N
XLogP1.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(5-bromo-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine (CID 30052087) is N-(5-bromo-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is YZNKVSIFLBFINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3/c1-13(2)6-5-11-9-4-3-8(10)7-12-9/h3-4,7H,5-6H2,1-2H3,(H,11,12).
What are the key properties of N-(5-bromo-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine?
N-(5-bromo-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 244.14 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 30052087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).