5-[1-(furan-2-yl)ethylamino]pentanenitrile

C11H16N2O — CID 60698105

IUPAC5-[1-(furan-2-yl)ethylamino]pentanenitrile
SMILESCC(NCCCCC#N)c1ccco1
InChIInChI=1S/C11H16N2O/c1-10(11-6-5-9-14-11)13-8-4-2-3-7-12/h5-6,9-10,13H,2-4,8H2,1H3
InChIKeyCLJADOFPAPCANY-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.62
Rot. Bonds6

About 5-[1-(furan-2-yl)ethylamino]pentanenitrile

5-[1-(furan-2-yl)ethylamino]pentanenitrile (PubChem CID 60698105) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-[1-(furan-2-yl)ethylamino]pentanenitrile.

Molecular Properties

Compound Name5-[1-(furan-2-yl)ethylamino]pentanenitrile
PubChem CID60698105
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name5-[1-(furan-2-yl)ethylamino]pentanenitrile
SMILESCC(NCCCCC#N)c1ccco1
InChIInChI=1S/C11H16N2O/c1-10(11-6-5-9-14-11)13-8-4-2-3-7-12/h5-6,9-10,13H,2-4,8H2,1H3
InChIKeyCLJADOFPAPCANY-UHFFFAOYSA-N
XLogP2.62
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.62
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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Related Compounds

4-[[(1S)-1-(furan-2-yl)ethyl]amino]butanenitrile
CID 81401126
N-[1-(furan-2-yl)ethyl]nonan-1-amine
CID 43535684
N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine
CID 81403081
3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
CID 28714744
N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine
CID 60889681
N-[(1S)-1-(furan-2-yl)ethyl]but-3-yn-1-amine
CID 81399861
N-[1-(furan-2-yl)ethyl]-4-phenylbutan-1-amine
CID 115708089
N-[1-(furan-2-yl)ethyl]-3-methoxypropan-1-amine
CID 43205063
3-[[(1R)-1-(furan-2-yl)ethyl]amino]butanenitrile
CID 81400905
5-[[(1R)-1-pyridin-4-ylethyl]amino]pentanenitrile
CID 81410148
1-(furan-2-yl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 61483869
5-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pentanenitrile
CID 81380757

Frequently Asked Questions

What is the IUPAC name of 5-[1-(furan-2-yl)ethylamino]pentanenitrile?
The IUPAC name of 5-[1-(furan-2-yl)ethylamino]pentanenitrile (CID 60698105) is 5-[1-(furan-2-yl)ethylamino]pentanenitrile.
What is the SMILES notation for 5-[1-(furan-2-yl)ethylamino]pentanenitrile?
The canonical SMILES for 5-[1-(furan-2-yl)ethylamino]pentanenitrile is CC(NCCCCC#N)c1ccco1.
What is the InChIKey of 5-[1-(furan-2-yl)ethylamino]pentanenitrile?
The InChIKey is CLJADOFPAPCANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-10(11-6-5-9-14-11)13-8-4-2-3-7-12/h5-6,9-10,13H,2-4,8H2,1H3.
What are the key properties of 5-[1-(furan-2-yl)ethylamino]pentanenitrile?
5-[1-(furan-2-yl)ethylamino]pentanenitrile has a molecular weight of 192.26 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(furan-2-yl)ethylamino]pentanenitrile is sourced from PubChem (CID 60698105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).