5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile

C12H16N2O — CID 103699447

IUPAC5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile
SMILESCC1(C)CC1CNCc1ccc(C#N)o1
InChIInChI=1S/C12H16N2O/c1-12(2)5-9(12)7-14-8-11-4-3-10(6-13)15-11/h3-4,9,14H,5,7-8H2,1-2H3
InChIKeyLMYXSSRWWSCDCW-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.29
Rot. Bonds4

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

5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile (PubChem CID 103699447) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile
PubChem CID103699447
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile
SMILESCC1(C)CC1CNCc1ccc(C#N)o1
InChIInChI=1S/C12H16N2O/c1-12(2)5-9(12)7-14-8-11-4-3-10(6-13)15-11/h3-4,9,14H,5,7-8H2,1-2H3
InChIKeyLMYXSSRWWSCDCW-UHFFFAOYSA-N
XLogP2.29
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile
CID 119138452
5-[[(3-methyloxetan-3-yl)methylamino]methyl]furan-2-carbonitrile
CID 115653866
5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]furan-2-carbonitrile
CID 113243162
5-[[(1-methylcyclobutyl)amino]methyl]furan-2-carbonitrile
CID 115765798
5-[[(3,3,5,5-tetramethylcyclohexyl)amino]methyl]furan-2-carbonitrile
CID 115919748
5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115656602
2-[[(2,2-dimethylcyclopropyl)methylamino]methyl]benzonitrile
CID 103851701
5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carbonitrile
CID 115653695
5-[[[(3S)-8-methyl-1,4-dioxaspiro[4.5]decan-3-yl]methylamino]methyl]furan-2-carbonitrile
CID 97338227
5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile
CID 115653596
5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile
CID 115653697
5-[(2-methoxyethylamino)methyl]furan-2-carbonitrile
CID 115651300

Frequently Asked Questions

What is the IUPAC name of 5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile (CID 103699447) is 5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile is CC1(C)CC1CNCc1ccc(C#N)o1.
What is the InChIKey of 5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile?
The InChIKey is LMYXSSRWWSCDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-12(2)5-9(12)7-14-8-11-4-3-10(6-13)15-11/h3-4,9,14H,5,7-8H2,1-2H3.
What are the key properties of 5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile?
5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile has a molecular weight of 204.27 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 103699447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).