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

C16H24N2O — CID 115919748

IUPAC5-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carbonitrile
SMILESCC1(C)CC(NCc2ccc(C#N)o2)CC(C)(C)C1
InChIInChI=1S/C16H24N2O/c1-15(2)7-12(8-16(3,4)11-15)18-10-14-6-5-13(9-17)19-14/h5-6,12,18H,7-8,10-11H2,1-4H3
InChIKeyCHZMNZVIIRGJCZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.85
Rot. Bonds3

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

5-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carbonitrile (PubChem CID 115919748) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carbonitrile
PubChem CID115919748
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carbonitrile
SMILESCC1(C)CC(NCc2ccc(C#N)o2)CC(C)(C)C1
InChIInChI=1S/C16H24N2O/c1-15(2)7-12(8-16(3,4)11-15)18-10-14-6-5-13(9-17)19-14/h5-6,12,18H,7-8,10-11H2,1-4H3
InChIKeyCHZMNZVIIRGJCZ-UHFFFAOYSA-N
XLogP3.85
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile
CID 113481560
5-[[(3-ethoxycyclobutyl)amino]methyl]furan-2-carbonitrile
CID 102610289
5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile
CID 103699447
5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile
CID 115651654
5-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile
CID 115654984
5-[[(1-ethylpiperidin-3-yl)amino]methyl]furan-2-carbonitrile
CID 115652643
5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115656602
5-[[(1-methylcyclobutyl)amino]methyl]furan-2-carbonitrile
CID 115765798
5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]furan-2-carbonitrile
CID 115652268
3,3,5,5-tetramethyl-N-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine
CID 113359579
N-[(5-ethylfuran-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 115881484
5-[[(2-methoxycyclopentyl)amino]methyl]furan-2-carbonitrile
CID 115652909

Frequently Asked Questions

What is the IUPAC name of 5-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carbonitrile (CID 115919748) is 5-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carbonitrile is CC1(C)CC(NCc2ccc(C#N)o2)CC(C)(C)C1.
What is the InChIKey of 5-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carbonitrile?
The InChIKey is CHZMNZVIIRGJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-15(2)7-12(8-16(3,4)11-15)18-10-14-6-5-13(9-17)19-14/h5-6,12,18H,7-8,10-11H2,1-4H3.
What are the key properties of 5-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carbonitrile?
5-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carbonitrile has a molecular weight of 260.38 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115919748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).