4-(1-benzofuran-3-ylmethylamino)cyclohexane-1-carbonitrile

C16H18N2O — CID 115150174

IUPAC4-(1-benzofuran-3-ylmethylamino)cyclohexane-1-carbonitrile
SMILESN#CC1CCC(NCc2coc3ccccc23)CC1
InChIInChI=1S/C16H18N2O/c17-9-12-5-7-14(8-6-12)18-10-13-11-19-16-4-2-1-3-15(13)16/h1-4,11-12,14,18H,5-8,10H2
InChIKeySXCOLACWJUAVMZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.60
Rot. Bonds3

About 4-(1-benzofuran-3-ylmethylamino)cyclohexane-1-carbonitrile

4-(1-benzofuran-3-ylmethylamino)cyclohexane-1-carbonitrile (PubChem CID 115150174) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(1-benzofuran-3-ylmethylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-(1-benzofuran-3-ylmethylamino)cyclohexane-1-carbonitrile
PubChem CID115150174
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-(1-benzofuran-3-ylmethylamino)cyclohexane-1-carbonitrile
SMILESN#CC1CCC(NCc2coc3ccccc23)CC1
InChIInChI=1S/C16H18N2O/c17-9-12-5-7-14(8-6-12)18-10-13-11-19-16-4-2-1-3-15(13)16/h1-4,11-12,14,18H,5-8,10H2
InChIKeySXCOLACWJUAVMZ-UHFFFAOYSA-N
XLogP3.60
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1-benzofuran-3-ylmethylamino)cyclohexane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine
CID 80700876
N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine
CID 115750478
N-(1-benzofuran-3-ylmethyl)-3-ethoxycyclobutan-1-amine
CID 103917742
5-(1-benzofuran-3-ylmethylamino)piperidin-2-one
CID 80700614
N-[(6-chloro-1-benzofuran-3-yl)methyl]cyclopropanamine
CID 117177526
2-(1-benzofuran-3-ylmethylamino)-2-methylpropanenitrile
CID 115129363
2-(1-benzofuran-3-yl)-N-cyclopentylacetamide
CID 110848759
N-(1-benzofuran-3-ylmethyl)-1,1-dicyclopropylmethanamine
CID 80700753
2-(1-benzofuran-3-ylmethylamino)propanenitrile
CID 115130217
N-(1-benzofuran-3-ylmethyl)-2,6-dimethylpiperidin-1-amine
CID 83009936
N-(1-benzofuran-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 80701565
N-(1-benzofuran-3-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80714828

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-3-ylmethylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 4-(1-benzofuran-3-ylmethylamino)cyclohexane-1-carbonitrile (CID 115150174) is 4-(1-benzofuran-3-ylmethylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-(1-benzofuran-3-ylmethylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-(1-benzofuran-3-ylmethylamino)cyclohexane-1-carbonitrile is N#CC1CCC(NCc2coc3ccccc23)CC1.
What is the InChIKey of 4-(1-benzofuran-3-ylmethylamino)cyclohexane-1-carbonitrile?
The InChIKey is SXCOLACWJUAVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c17-9-12-5-7-14(8-6-12)18-10-13-11-19-16-4-2-1-3-15(13)16/h1-4,11-12,14,18H,5-8,10H2.
What are the key properties of 4-(1-benzofuran-3-ylmethylamino)cyclohexane-1-carbonitrile?
4-(1-benzofuran-3-ylmethylamino)cyclohexane-1-carbonitrile has a molecular weight of 254.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-3-ylmethylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 115150174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).