5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile

C15H22N2O — CID 119138452

IUPAC5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNCC2CCCCCCC2)o1
InChIInChI=1S/C15H22N2O/c16-10-14-8-9-15(18-14)12-17-11-13-6-4-2-1-3-5-7-13/h8-9,13,17H,1-7,11-12H2
InChIKeyYXPOOPPMDSRQME-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.60
Rot. Bonds4

About 5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile

5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile (PubChem CID 119138452) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile
PubChem CID119138452
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNCC2CCCCCCC2)o1
InChIInChI=1S/C15H22N2O/c16-10-14-8-9-15(18-14)12-17-11-13-6-4-2-1-3-5-7-13/h8-9,13,17H,1-7,11-12H2
InChIKeyYXPOOPPMDSRQME-UHFFFAOYSA-N
XLogP3.60
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylmethanamine
CID 43215825
5-[[(2,2-dimethylcyclopropyl)methylamino]methyl]furan-2-carbonitrile
CID 103699447
5-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]furan-2-carbonitrile
CID 115651802
5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115656602
5-[[[(1R)-1-cyclopentylethyl]amino]methyl]furan-2-carbonitrile
CID 104865123
5-[(3-hydroxypropylamino)methyl]furan-2-carbonitrile
CID 115651259
5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]furan-2-carbonitrile
CID 113243162
5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carbonitrile
CID 115653695
5-[[(1-methylcyclobutyl)amino]methyl]furan-2-carbonitrile
CID 115765798
5-[(2-methoxyethylamino)methyl]furan-2-carbonitrile
CID 115651300
5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile
CID 115653697
5-[[(2-cyclopropyl-1-hydroxypropan-2-yl)amino]methyl]furan-2-carbonitrile
CID 115685161

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile?
The IUPAC name of 5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile (CID 119138452) is 5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile is N#Cc1ccc(CNCC2CCCCCCC2)o1.
What is the InChIKey of 5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile?
The InChIKey is YXPOOPPMDSRQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-10-14-8-9-15(18-14)12-17-11-13-6-4-2-1-3-5-7-13/h8-9,13,17H,1-7,11-12H2.
What are the key properties of 5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile?
5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile has a molecular weight of 246.35 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclooctylmethylamino)methyl]furan-2-carbonitrile is sourced from PubChem (CID 119138452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).