N',N'-dibutyl-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]propane-1,3-diamine

C22H32Br2N2O — CID 17214901

IUPACN',N'-dibutyl-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]propane-1,3-diamine
SMILESCCCCN(CCCC)CCCNCc1ccc(-c2ccc(Br)cc2Br)o1
InChIInChI=1S/C22H32Br2N2O/c1-3-5-13-26(14-6-4-2)15-7-12-25-17-19-9-11-22(27-19)20-10-8-18(23)16-21(20)24/h8-11,16,25H,3-7,12-15,17H2,1-2H3
InChIKeyFBCBCIHGHKKNTO-UHFFFAOYSA-N
MW500.32 g/mol
LogP6.85
Rot. Bonds13

About N',N'-dibutyl-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]propane-1,3-diamine

N',N'-dibutyl-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]propane-1,3-diamine (PubChem CID 17214901) has the molecular formula C22H32Br2N2O and a molecular weight of 500.32 g/mol. Its IUPAC name is N',N'-dibutyl-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dibutyl-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]propane-1,3-diamine
PubChem CID17214901
Molecular FormulaC22H32Br2N2O
Molecular Weight500.32 g/mol
Exact Mass498.09
IUPAC NameN',N'-dibutyl-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]propane-1,3-diamine
SMILESCCCCN(CCCC)CCCNCc1ccc(-c2ccc(Br)cc2Br)o1
InChIInChI=1S/C22H32Br2N2O/c1-3-5-13-26(14-6-4-2)15-7-12-25-17-19-9-11-22(27-19)20-10-8-18(23)16-21(20)24/h8-11,16,25H,3-7,12-15,17H2,1-2H3
InChIKeyFBCBCIHGHKKNTO-UHFFFAOYSA-N
XLogP6.85
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.32
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N',N'-dibutyl-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]hexan-1-amine;hydrochloride
CID 17213045
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-1-amine;hydrochloride
CID 17056161
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 17209187
N',N'-dibutyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]propane-1,3-diamine
CID 17214750
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]hexan-1-amine
CID 17056191
N',N'-dibutyl-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propane-1,3-diamine
CID 17214757
4-chloro-3-[5-[[3-(dibutylamino)propylamino]methyl]furan-2-yl]benzoic acid
CID 17214899
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine
CID 17213094
N'-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-N-methylpropane-1,3-diamine
CID 17056478
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-1-amine
CID 4723752
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17213093
N-[[5-(4-bromophenyl)furan-2-yl]methyl]pentan-1-amine
CID 4723764

Frequently Asked Questions

What is the IUPAC name of N',N'-dibutyl-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]propane-1,3-diamine?
The IUPAC name of N',N'-dibutyl-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]propane-1,3-diamine (CID 17214901) is N',N'-dibutyl-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dibutyl-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dibutyl-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]propane-1,3-diamine is CCCCN(CCCC)CCCNCc1ccc(-c2ccc(Br)cc2Br)o1.
What is the InChIKey of N',N'-dibutyl-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]propane-1,3-diamine?
The InChIKey is FBCBCIHGHKKNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32Br2N2O/c1-3-5-13-26(14-6-4-2)15-7-12-25-17-19-9-11-22(27-19)20-10-8-18(23)16-21(20)24/h8-11,16,25H,3-7,12-15,17H2,1-2H3.
What are the key properties of N',N'-dibutyl-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]propane-1,3-diamine?
N',N'-dibutyl-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]propane-1,3-diamine has a molecular weight of 500.32 g/mol, XLogP of 6.85, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutyl-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]propane-1,3-diamine is sourced from PubChem (CID 17214901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).