5-(furan-3-ylmethylamino)pentanenitrile

C10H14N2O — CID 115611430

IUPAC5-(furan-3-ylmethylamino)pentanenitrile
SMILESN#CCCCCNCc1ccoc1
InChIInChI=1S/C10H14N2O/c11-5-2-1-3-6-12-8-10-4-7-13-9-10/h4,7,9,12H,1-3,6,8H2
InChIKeyLZXKCWMAFKFIPN-UHFFFAOYSA-N
MW178.24 g/mol
LogP2.06
Rot. Bonds6

About 5-(furan-3-ylmethylamino)pentanenitrile

5-(furan-3-ylmethylamino)pentanenitrile (PubChem CID 115611430) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 5-(furan-3-ylmethylamino)pentanenitrile.

Molecular Properties

Compound Name5-(furan-3-ylmethylamino)pentanenitrile
PubChem CID115611430
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name5-(furan-3-ylmethylamino)pentanenitrile
SMILESN#CCCCCNCc1ccoc1
InChIInChI=1S/C10H14N2O/c11-5-2-1-3-6-12-8-10-4-7-13-9-10/h4,7,9,12H,1-3,6,8H2
InChIKeyLZXKCWMAFKFIPN-UHFFFAOYSA-N
XLogP2.06
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-ylmethylamino)pentanenitrile?
The IUPAC name of 5-(furan-3-ylmethylamino)pentanenitrile (CID 115611430) is 5-(furan-3-ylmethylamino)pentanenitrile.
What is the SMILES notation for 5-(furan-3-ylmethylamino)pentanenitrile?
The canonical SMILES for 5-(furan-3-ylmethylamino)pentanenitrile is N#CCCCCNCc1ccoc1.
What is the InChIKey of 5-(furan-3-ylmethylamino)pentanenitrile?
The InChIKey is LZXKCWMAFKFIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c11-5-2-1-3-6-12-8-10-4-7-13-9-10/h4,7,9,12H,1-3,6,8H2.
What are the key properties of 5-(furan-3-ylmethylamino)pentanenitrile?
5-(furan-3-ylmethylamino)pentanenitrile has a molecular weight of 178.24 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-ylmethylamino)pentanenitrile is sourced from PubChem (CID 115611430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).