2-(4-benzylimino-1-methylcyclohexyl)acetonitrile

C16H20N2 — CID 145394699

IUPAC2-(4-benzylimino-1-methylcyclohexyl)acetonitrile
SMILESCC1(CC#N)CCC(=NCc2ccccc2)CC1
InChIInChI=1S/C16H20N2/c1-16(11-12-17)9-7-15(8-10-16)18-13-14-5-3-2-4-6-14/h2-6H,7-11,13H2,1H3/b18-15-
InChIKeyCSQKQVMZHRBJBG-SDXDJHTJSA-N
MW240.35 g/mol
LogP4.12
Rot. Bonds3

About 2-(4-benzylimino-1-methylcyclohexyl)acetonitrile

2-(4-benzylimino-1-methylcyclohexyl)acetonitrile (PubChem CID 145394699) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(4-benzylimino-1-methylcyclohexyl)acetonitrile.

Molecular Properties

Compound Name2-(4-benzylimino-1-methylcyclohexyl)acetonitrile
PubChem CID145394699
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-(4-benzylimino-1-methylcyclohexyl)acetonitrile
SMILESCC1(CC#N)CCC(=NCc2ccccc2)CC1
InChIInChI=1S/C16H20N2/c1-16(11-12-17)9-7-15(8-10-16)18-13-14-5-3-2-4-6-14/h2-6H,7-11,13H2,1H3/b18-15-
InChIKeyCSQKQVMZHRBJBG-SDXDJHTJSA-N
XLogP4.12
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzyl-4-methylpiperidin-4-yl)acetonitrile;ethane
CID 145395092
ethane;2-[4-methyl-1-(2-phenylethyl)piperidin-4-yl]acetonitrile
CID 145395121
2-[1-[(4-benzylphenyl)methyl]-4-methylpiperidin-4-yl]acetonitrile;ethane
CID 145395264
ethane;ethene;2-[1-methyl-4-(4-phenylanilino)cyclohexyl]acetonitrile
CID 145394880
2-(1-benzylsulfanylcyclopentyl)acetonitrile
CID 75454459
N-[(4-phenylmethoxyphenyl)methyl]cyclopentanimine
CID 23343854
N-benzyl-2,2,3,3,4,4,5,5,6,6-decadeuteriocyclohexan-1-imine
CID 59504538
ethane;2-[4-methyl-1-[(3-methyl-4-phenylphenyl)methyl]piperidin-4-yl]acetonitrile
CID 145395051
11-N,28-N-dibenzyl-10,12,27,29-tetrazapentacyclo[28.4.0.04,9.013,18.021,26]tetratriaconta-1(34),4,6,8,13,15,17,21,23,25,30,32-dodecaene-11,28-diimine
CID 136732292
N-benzyl-3-trimethylsilylsulfanylcyclohexan-1-imine
CID 140768318
2-(1,1,3-trimethyl-2H-1-benzosilol-3-yl)acetonitrile
CID 102478898
2-[4-methyl-1-[[3-(methylsulfanylamino)phenyl]methyl]piperidin-4-yl]acetonitrile
CID 145394409

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylimino-1-methylcyclohexyl)acetonitrile?
The IUPAC name of 2-(4-benzylimino-1-methylcyclohexyl)acetonitrile (CID 145394699) is 2-(4-benzylimino-1-methylcyclohexyl)acetonitrile.
What is the SMILES notation for 2-(4-benzylimino-1-methylcyclohexyl)acetonitrile?
The canonical SMILES for 2-(4-benzylimino-1-methylcyclohexyl)acetonitrile is CC1(CC#N)CCC(=NCc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylimino-1-methylcyclohexyl)acetonitrile?
The InChIKey is CSQKQVMZHRBJBG-SDXDJHTJSA-N. The full InChI is InChI=1S/C16H20N2/c1-16(11-12-17)9-7-15(8-10-16)18-13-14-5-3-2-4-6-14/h2-6H,7-11,13H2,1H3/b18-15-.
What are the key properties of 2-(4-benzylimino-1-methylcyclohexyl)acetonitrile?
2-(4-benzylimino-1-methylcyclohexyl)acetonitrile has a molecular weight of 240.35 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylimino-1-methylcyclohexyl)acetonitrile is sourced from PubChem (CID 145394699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).