5-[2-(furan-2-yl)ethylamino]-4,4-dimethylpentanenitrile

C13H20N2O — CID 115651461

IUPAC5-[2-(furan-2-yl)ethylamino]-4,4-dimethylpentanenitrile
SMILESCC(C)(CCC#N)CNCCc1ccco1
InChIInChI=1S/C13H20N2O/c1-13(2,7-4-8-14)11-15-9-6-12-5-3-10-16-12/h3,5,10,15H,4,6-7,9,11H2,1-2H3
InChIKeyNZGDWRWTJCXQJO-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.74
Rot. Bonds7

About 5-[2-(furan-2-yl)ethylamino]-4,4-dimethylpentanenitrile

5-[2-(furan-2-yl)ethylamino]-4,4-dimethylpentanenitrile (PubChem CID 115651461) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-[2-(furan-2-yl)ethylamino]-4,4-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[2-(furan-2-yl)ethylamino]-4,4-dimethylpentanenitrile
PubChem CID115651461
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name5-[2-(furan-2-yl)ethylamino]-4,4-dimethylpentanenitrile
SMILESCC(C)(CCC#N)CNCCc1ccco1
InChIInChI=1S/C13H20N2O/c1-13(2,7-4-8-14)11-15-9-6-12-5-3-10-16-12/h3,5,10,15H,4,6-7,9,11H2,1-2H3
InChIKeyNZGDWRWTJCXQJO-UHFFFAOYSA-N
XLogP2.74
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.74
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

5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-4,4-dimethylpentanenitrile
CID 111468693
1-N-[2-(furan-2-yl)ethyl]-2,2,3-trimethylbutane-1,3-diamine
CID 65266782
5-[2-(4-chlorophenyl)ethylamino]-4,4-dimethylpentanenitrile
CID 113242821
N'-tert-butyl-N-[2-(furan-2-yl)ethyl]ethane-1,2-diamine
CID 79256730
3,3,3-trifluoro-N-[2-(furan-2-yl)ethyl]propan-1-amine
CID 60695393
4-[4-(furan-2-yl)butan-2-ylamino]-3,3-dimethylbutan-1-ol
CID 103787562
4,4-dimethyl-5-(pent-3-ynylamino)pentanenitrile
CID 116642917
5-(furan-2-ylmethylamino)-4,4-dimethylpentan-2-ol
CID 111467857
4-[2-(furan-2-yl)ethylamino]benzonitrile
CID 60701833
4,4-dimethyl-5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile
CID 115652255
5-(2-ethylsulfonylethylamino)-4,4-dimethylpentanenitrile
CID 115653244
N-[(4-ethylphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 43395380

Frequently Asked Questions

What is the IUPAC name of 5-[2-(furan-2-yl)ethylamino]-4,4-dimethylpentanenitrile?
The IUPAC name of 5-[2-(furan-2-yl)ethylamino]-4,4-dimethylpentanenitrile (CID 115651461) is 5-[2-(furan-2-yl)ethylamino]-4,4-dimethylpentanenitrile.
What is the SMILES notation for 5-[2-(furan-2-yl)ethylamino]-4,4-dimethylpentanenitrile?
The canonical SMILES for 5-[2-(furan-2-yl)ethylamino]-4,4-dimethylpentanenitrile is CC(C)(CCC#N)CNCCc1ccco1.
What is the InChIKey of 5-[2-(furan-2-yl)ethylamino]-4,4-dimethylpentanenitrile?
The InChIKey is NZGDWRWTJCXQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(2,7-4-8-14)11-15-9-6-12-5-3-10-16-12/h3,5,10,15H,4,6-7,9,11H2,1-2H3.
What are the key properties of 5-[2-(furan-2-yl)ethylamino]-4,4-dimethylpentanenitrile?
5-[2-(furan-2-yl)ethylamino]-4,4-dimethylpentanenitrile has a molecular weight of 220.32 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(furan-2-yl)ethylamino]-4,4-dimethylpentanenitrile is sourced from PubChem (CID 115651461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).