5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carbonitrile

C14H20N2O2 — CID 115653695

IUPAC5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carbonitrile
SMILESCC1CCCC(O)(CNCc2ccc(C#N)o2)C1
InChIInChI=1S/C14H20N2O2/c1-11-3-2-6-14(17,7-11)10-16-9-13-5-4-12(8-15)18-13/h4-5,11,16-17H,2-3,6-7,9-10H2,1H3
InChIKeySMEJFHKDRZQRIE-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.18
Rot. Bonds4

About 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carbonitrile

5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carbonitrile (PubChem CID 115653695) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carbonitrile
PubChem CID115653695
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carbonitrile
SMILESCC1CCCC(O)(CNCc2ccc(C#N)o2)C1
InChIInChI=1S/C14H20N2O2/c1-11-3-2-6-14(17,7-11)10-16-9-13-5-4-12(8-15)18-13/h4-5,11,16-17H,2-3,6-7,9-10H2,1H3
InChIKeySMEJFHKDRZQRIE-UHFFFAOYSA-N
XLogP2.18
TPSA69.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]-3-methylcyclohexan-1-ol
CID 65117347
3-methyl-1-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]cyclohexan-1-ol
CID 63933922
methyl 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carboxylate
CID 65117203
1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 65120782
5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile
CID 119138452
5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile
CID 103699447
1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621585
5-[[(3,3-dimethylcyclohexyl)amino]methyl]furan-2-carbonitrile
CID 113481560
5-[[(3-methyloxetan-3-yl)methylamino]methyl]furan-2-carbonitrile
CID 115653866
5-[[(1-methylcyclobutyl)amino]methyl]furan-2-carbonitrile
CID 115765798
3-methyl-1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63933300
3-methyl-1-[[(2,4,6-trimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 63934761

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carbonitrile (CID 115653695) is 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carbonitrile is CC1CCCC(O)(CNCc2ccc(C#N)o2)C1.
What is the InChIKey of 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carbonitrile?
The InChIKey is SMEJFHKDRZQRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-3-2-6-14(17,7-11)10-16-9-13-5-4-12(8-15)18-13/h4-5,11,16-17H,2-3,6-7,9-10H2,1H3.
What are the key properties of 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carbonitrile?
5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carbonitrile has a molecular weight of 248.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115653695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).