N'-[(2,3-dimethylimidazol-4-yl)methyl]-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine

C17H28N4O — CID 46962744

IUPACN'-[(2,3-dimethylimidazol-4-yl)methyl]-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine
SMILESCc1ccc(CN(CCCN(C)C)Cc2cnc(C)n2C)o1
InChIInChI=1S/C17H28N4O/c1-14-7-8-17(22-14)13-21(10-6-9-19(3)4)12-16-11-18-15(2)20(16)5/h7-8,11H,6,9-10,12-13H2,1-5H3
InChIKeyXCFSRHZOKWXUKS-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.58
Rot. Bonds8

About N'-[(2,3-dimethylimidazol-4-yl)methyl]-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine

N'-[(2,3-dimethylimidazol-4-yl)methyl]-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine (PubChem CID 46962744) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N'-[(2,3-dimethylimidazol-4-yl)methyl]-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2,3-dimethylimidazol-4-yl)methyl]-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine
PubChem CID46962744
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN'-[(2,3-dimethylimidazol-4-yl)methyl]-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine
SMILESCc1ccc(CN(CCCN(C)C)Cc2cnc(C)n2C)o1
InChIInChI=1S/C17H28N4O/c1-14-7-8-17(22-14)13-21(10-6-9-19(3)4)12-16-11-18-15(2)20(16)5/h7-8,11H,6,9-10,12-13H2,1-5H3
InChIKeyXCFSRHZOKWXUKS-UHFFFAOYSA-N
XLogP2.58
TPSA37.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[(2,3-dimethylimidazol-4-yl)methyl]-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-[(2,3-dimethylimidazol-4-yl)methyl]-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine (CID 46962744) is N'-[(2,3-dimethylimidazol-4-yl)methyl]-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[(2,3-dimethylimidazol-4-yl)methyl]-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-[(2,3-dimethylimidazol-4-yl)methyl]-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine is Cc1ccc(CN(CCCN(C)C)Cc2cnc(C)n2C)o1.
What is the InChIKey of N'-[(2,3-dimethylimidazol-4-yl)methyl]-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine?
The InChIKey is XCFSRHZOKWXUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-14-7-8-17(22-14)13-21(10-6-9-19(3)4)12-16-11-18-15(2)20(16)5/h7-8,11H,6,9-10,12-13H2,1-5H3.
What are the key properties of N'-[(2,3-dimethylimidazol-4-yl)methyl]-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine?
N'-[(2,3-dimethylimidazol-4-yl)methyl]-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine has a molecular weight of 304.44 g/mol, XLogP of 2.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,3-dimethylimidazol-4-yl)methyl]-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 46962744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).