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

C18H28N4O2 — CID 16677066

IUPACN-[(5-methylfuran-2-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCc1ccc(CN(CCCN2CCOCC2)Cc2cnn(C)c2)o1
InChIInChI=1S/C18H28N4O2/c1-16-4-5-18(24-16)15-22(14-17-12-19-20(2)13-17)7-3-6-21-8-10-23-11-9-21/h4-5,12-13H,3,6-11,14-15H2,1-2H3
InChIKeyDRSFWNGERRPHRR-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.05
Rot. Bonds8

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

N-[(5-methylfuran-2-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 16677066) 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-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID16677066
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCc1ccc(CN(CCCN2CCOCC2)Cc2cnn(C)c2)o1
InChIInChI=1S/C18H28N4O2/c1-16-4-5-18(24-16)15-22(14-17-12-19-20(2)13-17)7-3-6-21-8-10-23-11-9-21/h4-5,12-13H,3,6-11,14-15H2,1-2H3
InChIKeyDRSFWNGERRPHRR-UHFFFAOYSA-N
XLogP2.05
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 16677066) is N-[(5-methylfuran-2-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine is Cc1ccc(CN(CCCN2CCOCC2)Cc2cnn(C)c2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is DRSFWNGERRPHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-16-4-5-18(24-16)15-22(14-17-12-19-20(2)13-17)7-3-6-21-8-10-23-11-9-21/h4-5,12-13H,3,6-11,14-15H2,1-2H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(5-methylfuran-2-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 332.45 g/mol, XLogP of 2.05, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 16677066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).