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

C18H28N4O2 — CID 16677079

IUPACN-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCc1ccc(CN(CCCN2CCOCC2)Cc2cncn2C)o1
InChIInChI=1S/C18H28N4O2/c1-16-4-5-18(24-16)14-22(13-17-12-19-15-20(17)2)7-3-6-21-8-10-23-11-9-21/h4-5,12,15H,3,6-11,13-14H2,1-2H3
InChIKeyRSNXRMKGOUBICX-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.05
Rot. Bonds8

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

N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 16677079) 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-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID16677079
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCc1ccc(CN(CCCN2CCOCC2)Cc2cncn2C)o1
InChIInChI=1S/C18H28N4O2/c1-16-4-5-18(24-16)14-22(13-17-12-19-15-20(17)2)7-3-6-21-8-10-23-11-9-21/h4-5,12,15H,3,6-11,13-14H2,1-2H3
InChIKeyRSNXRMKGOUBICX-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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Related Compounds

Pefurazoate
CID 93532
N1-(3-(1H-imidazol-1-yl)propyl)-N2-(2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl)oxalamide
CID 16194953
(6S)-1-(furan-2-ylmethyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione
CID 53304361
(6R)-1-(furan-2-ylmethyl)-6-(1H-imidazol-5-ylmethyl)piperazine-2,5-dione
CID 53304362
1-(Furan-2-ylmethyl)-3-propyl-1,2,3,4-tetrahydro[1,3,5]triazino[1,2-a]benzimidazole
CID 666805
2-Pyridinamine, N-(2-furanylmethyl)-N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-
CID 3062731
2-{4-[(5-Methyl-2-furyl)methyl]-1-piperazinyl}pyrimidine
CID 783224
9-(2-furylmethyl)-9H-purine-6-thiol
CID 3246290
1-(furan-2-ylmethyl)-2-N-methyl-6-N-phenylimidazo[4,5-c]pyridine-2,6-diamine
CID 155542982
3-[[2-(Furan-2-yl)-1-pentylimidazo[4,5-c]pyridin-4-yl]-methylamino]propan-1-ol
CID 162667050
2-(2-Furanyl)histamine
CID 10261635
US10716791, Code KP-288
CID 126616118

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 16677079) is N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine is Cc1ccc(CN(CCCN2CCOCC2)Cc2cncn2C)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is RSNXRMKGOUBICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-16-4-5-18(24-16)14-22(13-17-12-19-15-20(17)2)7-3-6-21-8-10-23-11-9-21/h4-5,12,15H,3,6-11,13-14H2,1-2H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(5-methylfuran-2-yl)methyl]-N-[(3-methylimidazol-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-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 16677079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).