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

C19H26N6O — CID 15675413

IUPAC2-[1-[2-[[4-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile
SMILESN#CC(C#N)=C1NCCN1CCNCc1cc(CN2CCCCC2)co1
InChIInChI=1S/C19H26N6O/c20-11-17(12-21)19-23-5-9-25(19)8-4-22-13-18-10-16(15-26-18)14-24-6-2-1-3-7-24/h10,15,22-23H,1-9,13-14H2
InChIKeyCNVIZGWEUHSUOP-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.52
Rot. Bonds7

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

2-[1-[2-[[4-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile (PubChem CID 15675413) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-[1-[2-[[4-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[1-[2-[[4-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile
PubChem CID15675413
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name2-[1-[2-[[4-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile
SMILESN#CC(C#N)=C1NCCN1CCNCc1cc(CN2CCCCC2)co1
InChIInChI=1S/C19H26N6O/c20-11-17(12-21)19-23-5-9-25(19)8-4-22-13-18-10-16(15-26-18)14-24-6-2-1-3-7-24/h10,15,22-23H,1-9,13-14H2
InChIKeyCNVIZGWEUHSUOP-UHFFFAOYSA-N
XLogP1.52
TPSA91.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[[4-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile?
The IUPAC name of 2-[1-[2-[[4-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile (CID 15675413) is 2-[1-[2-[[4-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile.
What is the SMILES notation for 2-[1-[2-[[4-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile?
The canonical SMILES for 2-[1-[2-[[4-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile is N#CC(C#N)=C1NCCN1CCNCc1cc(CN2CCCCC2)co1.
What is the InChIKey of 2-[1-[2-[[4-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile?
The InChIKey is CNVIZGWEUHSUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c20-11-17(12-21)19-23-5-9-25(19)8-4-22-13-18-10-16(15-26-18)14-24-6-2-1-3-7-24/h10,15,22-23H,1-9,13-14H2.
What are the key properties of 2-[1-[2-[[4-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile?
2-[1-[2-[[4-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile has a molecular weight of 354.46 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[[4-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile is sourced from PubChem (CID 15675413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).