5-[(octan-4-ylamino)methyl]furan-2-carbonitrile

C14H22N2O — CID 113250138

IUPAC5-[(octan-4-ylamino)methyl]furan-2-carbonitrile
SMILESCCCCC(CCC)NCc1ccc(C#N)o1
InChIInChI=1S/C14H22N2O/c1-3-5-7-12(6-4-2)16-11-14-9-8-13(10-15)17-14/h8-9,12,16H,3-7,11H2,1-2H3
InChIKeyFYLPCLJPNRHRCF-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.60
Rot. Bonds8

About 5-[(octan-4-ylamino)methyl]furan-2-carbonitrile

5-[(octan-4-ylamino)methyl]furan-2-carbonitrile (PubChem CID 113250138) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-[(octan-4-ylamino)methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[(octan-4-ylamino)methyl]furan-2-carbonitrile
PubChem CID113250138
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name5-[(octan-4-ylamino)methyl]furan-2-carbonitrile
SMILESCCCCC(CCC)NCc1ccc(C#N)o1
InChIInChI=1S/C14H22N2O/c1-3-5-7-12(6-4-2)16-11-14-9-8-13(10-15)17-14/h8-9,12,16H,3-7,11H2,1-2H3
InChIKeyFYLPCLJPNRHRCF-UHFFFAOYSA-N
XLogP3.60
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile
CID 115651266
5-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]furan-2-carbonitrile
CID 115654952
5-[[4-(dimethylamino)butan-2-ylamino]methyl]furan-2-carbonitrile
CID 115652951
5-[[2-(2-hydroxyethyl)pentylamino]methyl]furan-2-carbonitrile
CID 103707954
5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-carbonitrile
CID 114986469
5-[(1-cyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115651606
5-[[1-(4-methoxyphenyl)propylamino]methyl]furan-2-carbonitrile
CID 115651531
5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile
CID 115653596
1-methoxy-N-[(5-methylfuran-2-yl)methyl]hexan-2-amine
CID 115639638
5-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carbonitrile
CID 104865108
3-methyl-4-[(octan-4-ylamino)methyl]benzonitrile
CID 106024280
5-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]furan-2-carbonitrile
CID 115651624

Frequently Asked Questions

What is the IUPAC name of 5-[(octan-4-ylamino)methyl]furan-2-carbonitrile?
The IUPAC name of 5-[(octan-4-ylamino)methyl]furan-2-carbonitrile (CID 113250138) is 5-[(octan-4-ylamino)methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[(octan-4-ylamino)methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[(octan-4-ylamino)methyl]furan-2-carbonitrile is CCCCC(CCC)NCc1ccc(C#N)o1.
What is the InChIKey of 5-[(octan-4-ylamino)methyl]furan-2-carbonitrile?
The InChIKey is FYLPCLJPNRHRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-5-7-12(6-4-2)16-11-14-9-8-13(10-15)17-14/h8-9,12,16H,3-7,11H2,1-2H3.
What are the key properties of 5-[(octan-4-ylamino)methyl]furan-2-carbonitrile?
5-[(octan-4-ylamino)methyl]furan-2-carbonitrile has a molecular weight of 234.34 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(octan-4-ylamino)methyl]furan-2-carbonitrile is sourced from PubChem (CID 113250138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).