5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile

C14H20N2O — CID 113481560

IUPAC5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile
SMILESCC1(C)CCCC(NCc2ccc(C#N)o2)C1
InChIInChI=1S/C14H20N2O/c1-14(2)7-3-4-11(8-14)16-10-13-6-5-12(9-15)17-13/h5-6,11,16H,3-4,7-8,10H2,1-2H3
InChIKeyUOWFDIUIVQYVDN-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.21
Rot. Bonds3

About 5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile

5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile (PubChem CID 113481560) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile
PubChem CID113481560
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile
SMILESCC1(C)CCCC(NCc2ccc(C#N)o2)C1
InChIInChI=1S/C14H20N2O/c1-14(2)7-3-4-11(8-14)16-10-13-6-5-12(9-15)17-13/h5-6,11,16H,3-4,7-8,10H2,1-2H3
InChIKeyUOWFDIUIVQYVDN-UHFFFAOYSA-N
XLogP3.21
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carbonitrile
CID 115919748
5-[[(1-ethylpiperidin-3-yl)amino]methyl]furan-2-carbonitrile
CID 115652643
N-[(5-ethylfuran-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 115881484
5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile
CID 115651654
4-[[(3,3-dimethylcyclohexyl)amino]methyl]-3-fluorobenzonitrile
CID 81422115
5-[[(1-methylcyclobutyl)amino]methyl]furan-2-carbonitrile
CID 115765798
5-[[(3-ethoxycyclobutyl)amino]methyl]furan-2-carbonitrile
CID 102610289
5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile
CID 115654984
5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carbonitrile
CID 115653695
5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile
CID 103699447
5-[[[(1R)-1-cyclopentylethyl]amino]methyl]furan-2-carbonitrile
CID 104865123
5-[[(2-methoxycyclopentyl)amino]methyl]furan-2-carbonitrile
CID 115652909

Frequently Asked Questions

What is the IUPAC name of 5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile (CID 113481560) is 5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile is CC1(C)CCCC(NCc2ccc(C#N)o2)C1.
What is the InChIKey of 5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile?
The InChIKey is UOWFDIUIVQYVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2)7-3-4-11(8-14)16-10-13-6-5-12(9-15)17-13/h5-6,11,16H,3-4,7-8,10H2,1-2H3.
What are the key properties of 5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile?
5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile has a molecular weight of 232.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 113481560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).