N-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine

C19H30N4O2 — CID 16677801

IUPACN-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCc1ccc(CN(CCCN2CCOCC2)Cc2cnc(C)n2C)o1
InChIInChI=1S/C19H30N4O2/c1-16-5-6-19(25-16)15-23(14-18-13-20-17(2)21(18)3)8-4-7-22-9-11-24-12-10-22/h5-6,13H,4,7-12,14-15H2,1-3H3
InChIKeyOQKANTHSMGFHIH-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.35
Rot. Bonds8

About N-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine

N-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 16677801) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID16677801
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCc1ccc(CN(CCCN2CCOCC2)Cc2cnc(C)n2C)o1
InChIInChI=1S/C19H30N4O2/c1-16-5-6-19(25-16)15-23(14-18-13-20-17(2)21(18)3)8-4-7-22-9-11-24-12-10-22/h5-6,13H,4,7-12,14-15H2,1-3H3
InChIKeyOQKANTHSMGFHIH-UHFFFAOYSA-N
XLogP2.35
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 16677801) is N-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine is Cc1ccc(CN(CCCN2CCOCC2)Cc2cnc(C)n2C)o1.
What is the InChIKey of N-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is OQKANTHSMGFHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-16-5-6-19(25-16)15-23(14-18-13-20-17(2)21(18)3)8-4-7-22-9-11-24-12-10-22/h5-6,13H,4,7-12,14-15H2,1-3H3.
What are the key properties of N-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 346.48 g/mol, XLogP of 2.35, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylimidazol-4-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 16677801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).