4,4-dimethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pentanenitrile

C14H22N2O — CID 113489749

IUPAC4,4-dimethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pentanenitrile
SMILESCc1ccc(C(C)NCC(C)(C)CCC#N)o1
InChIInChI=1S/C14H22N2O/c1-11-6-7-13(17-11)12(2)16-10-14(3,4)8-5-9-15/h6-7,12,16H,5,8,10H2,1-4H3
InChIKeyYKINXLKWRHCGPF-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.57
Rot. Bonds6

About 4,4-dimethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pentanenitrile

4,4-dimethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pentanenitrile (PubChem CID 113489749) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4,4-dimethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pentanenitrile.

Molecular Properties

Compound Name4,4-dimethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pentanenitrile
PubChem CID113489749
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4,4-dimethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pentanenitrile
SMILESCc1ccc(C(C)NCC(C)(C)CCC#N)o1
InChIInChI=1S/C14H22N2O/c1-11-6-7-13(17-11)12(2)16-10-14(3,4)8-5-9-15/h6-7,12,16H,5,8,10H2,1-4H3
InChIKeyYKINXLKWRHCGPF-UHFFFAOYSA-N
XLogP3.57
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-5-[1-(5-methylthiophen-2-yl)ethylamino]pentanenitrile
CID 113489849
5-[1-(4-chlorophenyl)ethylamino]-4,4-dimethylpentanenitrile
CID 113489698
4,4-dimethyl-5-[[(1R)-1-pyridin-2-ylethyl]amino]pentanenitrile
CID 113489921
5-[1-(3-bromophenyl)ethylamino]-4,4-dimethylpentanenitrile
CID 113489727
2,2,3,3-tetrafluoro-N-[1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 104578482
5-(but-3-yn-2-ylamino)-4,4-dimethylpentanenitrile
CID 114415340
N-[1-(5-methylfuran-2-yl)ethyl]prop-2-en-1-amine
CID 43177065
2-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetonitrile
CID 43722297
4,4-dimethyl-5-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pentanenitrile
CID 115651796
4,4,4-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine
CID 81344002
4,4-dimethyl-5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile
CID 115652255
(2R)-1-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]propan-2-ol
CID 93082108

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pentanenitrile?
The IUPAC name of 4,4-dimethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pentanenitrile (CID 113489749) is 4,4-dimethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pentanenitrile.
What is the SMILES notation for 4,4-dimethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pentanenitrile?
The canonical SMILES for 4,4-dimethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pentanenitrile is Cc1ccc(C(C)NCC(C)(C)CCC#N)o1.
What is the InChIKey of 4,4-dimethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pentanenitrile?
The InChIKey is YKINXLKWRHCGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-6-7-13(17-11)12(2)16-10-14(3,4)8-5-9-15/h6-7,12,16H,5,8,10H2,1-4H3.
What are the key properties of 4,4-dimethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pentanenitrile?
4,4-dimethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pentanenitrile has a molecular weight of 234.34 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pentanenitrile is sourced from PubChem (CID 113489749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).