2-[1-[2-[[5-(morpholin-4-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile

C18H24N6O2 — CID 10089624

IUPAC2-[1-[2-[[5-(morpholin-4-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile
SMILESN#CC(C#N)=C1NCCN1CCNCc1ccc(CN2CCOCC2)o1
InChIInChI=1S/C18H24N6O2/c19-11-15(12-20)18-22-4-6-24(18)5-3-21-13-16-1-2-17(26-16)14-23-7-9-25-10-8-23/h1-2,21-22H,3-10,13-14H2
InChIKeyNHGBGMKXMPIVTG-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.37
Rot. Bonds7

About 2-[1-[2-[[5-(morpholin-4-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile

2-[1-[2-[[5-(morpholin-4-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile (PubChem CID 10089624) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[1-[2-[[5-(morpholin-4-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[1-[2-[[5-(morpholin-4-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile
PubChem CID10089624
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name2-[1-[2-[[5-(morpholin-4-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile
SMILESN#CC(C#N)=C1NCCN1CCNCc1ccc(CN2CCOCC2)o1
InChIInChI=1S/C18H24N6O2/c19-11-15(12-20)18-22-4-6-24(18)5-3-21-13-16-1-2-17(26-16)14-23-7-9-25-10-8-23/h1-2,21-22H,3-10,13-14H2
InChIKeyNHGBGMKXMPIVTG-UHFFFAOYSA-N
XLogP0.37
TPSA100.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62439919
4-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]morpholine
CID 155546801
2-[1-(3-hydroxypropyl)imidazolidin-2-ylidene]propanedinitrile
CID 86632462
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6473098
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6471769
(1S)-1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol
CID 8639329
dimethyl 5-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate;dihydrochloride
CID 17333473
1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol;dihydrochloride
CID 17333534
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine
CID 4723728
N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methyl]-4-morpholin-4-ylbutan-1-amine
CID 119108081
3-morpholin-4-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine;dihydrochloride
CID 6456966
N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 119107685

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[[5-(morpholin-4-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile?
The IUPAC name of 2-[1-[2-[[5-(morpholin-4-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile (CID 10089624) is 2-[1-[2-[[5-(morpholin-4-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile.
What is the SMILES notation for 2-[1-[2-[[5-(morpholin-4-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile?
The canonical SMILES for 2-[1-[2-[[5-(morpholin-4-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile is N#CC(C#N)=C1NCCN1CCNCc1ccc(CN2CCOCC2)o1.
What is the InChIKey of 2-[1-[2-[[5-(morpholin-4-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile?
The InChIKey is NHGBGMKXMPIVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c19-11-15(12-20)18-22-4-6-24(18)5-3-21-13-16-1-2-17(26-16)14-23-7-9-25-10-8-23/h1-2,21-22H,3-10,13-14H2.
What are the key properties of 2-[1-[2-[[5-(morpholin-4-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile?
2-[1-[2-[[5-(morpholin-4-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile has a molecular weight of 356.43 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[[5-(morpholin-4-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile is sourced from PubChem (CID 10089624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).