N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

C14H22BrN5 — CID 106040343

IUPACN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(C)CCCNCc1cnc2cnc(Br)cn12
InChIInChI=1S/C14H22BrN5/c1-11(2)19(3)6-4-5-16-7-12-8-18-14-9-17-13(15)10-20(12)14/h8-11,16H,4-7H2,1-3H3
InChIKeyRZDFPKMJLYUBBG-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.31
Rot. Bonds7

About N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 106040343) has the molecular formula C14H22BrN5 and a molecular weight of 340.27 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID106040343
Molecular FormulaC14H22BrN5
Molecular Weight340.27 g/mol
Exact Mass339.11
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(C)CCCNCc1cnc2cnc(Br)cn12
InChIInChI=1S/C14H22BrN5/c1-11(2)19(3)6-4-5-16-7-12-8-18-14-9-17-13(15)10-20(12)14/h8-11,16H,4-7H2,1-3H3
InChIKeyRZDFPKMJLYUBBG-UHFFFAOYSA-N
XLogP2.31
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (CID 106040343) is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is CC(C)N(C)CCCNCc1cnc2cnc(Br)cn12.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is RZDFPKMJLYUBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN5/c1-11(2)19(3)6-4-5-16-7-12-8-18-14-9-17-13(15)10-20(12)14/h8-11,16H,4-7H2,1-3H3.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 340.27 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 106040343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).