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

C18H28N4O2 — CID 16677078

IUPACN-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCc1ccc(CN(CCCN2CCOCC2)Cc2nc[nH]c2C)o1
InChIInChI=1S/C18H28N4O2/c1-15-4-5-17(24-15)12-22(13-18-16(2)19-14-20-18)7-3-6-21-8-10-23-11-9-21/h4-5,14H,3,6-13H2,1-2H3,(H,19,20)
InChIKeyQRSMJLWAAAESHU-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.34
Rot. Bonds8

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

N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 16677078) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID16677078
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCc1ccc(CN(CCCN2CCOCC2)Cc2nc[nH]c2C)o1
InChIInChI=1S/C18H28N4O2/c1-15-4-5-17(24-15)12-22(13-18-16(2)19-14-20-18)7-3-6-21-8-10-23-11-9-21/h4-5,14H,3,6-13H2,1-2H3,(H,19,20)
InChIKeyQRSMJLWAAAESHU-UHFFFAOYSA-N
XLogP2.34
TPSA57.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 16677078) is N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine is Cc1ccc(CN(CCCN2CCOCC2)Cc2nc[nH]c2C)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is QRSMJLWAAAESHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-15-4-5-17(24-15)12-22(13-18-16(2)19-14-20-18)7-3-6-21-8-10-23-11-9-21/h4-5,14H,3,6-13H2,1-2H3,(H,19,20).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 332.45 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 16677078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).