5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile

C14H18N2O — CID 115656602

IUPAC5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNCC(C2CC2)C2CC2)o1
InChIInChI=1S/C14H18N2O/c15-7-12-5-6-13(17-12)8-16-9-14(10-1-2-10)11-3-4-11/h5-6,10-11,14,16H,1-4,8-9H2
InChIKeyHTEPLODGHLSCGG-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.68
Rot. Bonds6

About 5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile

5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile (PubChem CID 115656602) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile
PubChem CID115656602
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNCC(C2CC2)C2CC2)o1
InChIInChI=1S/C14H18N2O/c15-7-12-5-6-13(17-12)8-16-9-14(10-1-2-10)11-3-4-11/h5-6,10-11,14,16H,1-4,8-9H2
InChIKeyHTEPLODGHLSCGG-UHFFFAOYSA-N
XLogP2.68
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115651606
5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile
CID 115653596
5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile
CID 119138452
5-[[[(1R)-1-cyclopentylethyl]amino]methyl]furan-2-carbonitrile
CID 104865123
5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile
CID 103699447
5-[(2,2-dicyclopropylethylamino)methyl]thiophene-2-carbonitrile
CID 115675957
5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carbonitrile
CID 115652335
5-[(4-cyanobutylamino)methyl]furan-2-carbonitrile
CID 115653264
5-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carbonitrile
CID 115919748
5-[[[2-(dimethylamino)-2-phenylethyl]amino]methyl]furan-2-carbonitrile
CID 115651465
5-[(benzylamino)methyl]furan-2-carbonitrile
CID 115651342
5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile
CID 113481560

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile?
The IUPAC name of 5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile (CID 115656602) is 5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile is N#Cc1ccc(CNCC(C2CC2)C2CC2)o1.
What is the InChIKey of 5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile?
The InChIKey is HTEPLODGHLSCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c15-7-12-5-6-13(17-12)8-16-9-14(10-1-2-10)11-3-4-11/h5-6,10-11,14,16H,1-4,8-9H2.
What are the key properties of 5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile?
5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile is sourced from PubChem (CID 115656602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).