2-[(2-hydroxy-2-methylpropyl)-methylamino]-4-phenylcyclohexane-1-carbonitrile

C18H26N2O — CID 79380287

IUPAC2-[(2-hydroxy-2-methylpropyl)-methylamino]-4-phenylcyclohexane-1-carbonitrile
SMILESCN(CC(C)(C)O)C1CC(c2ccccc2)CCC1C#N
InChIInChI=1S/C18H26N2O/c1-18(2,21)13-20(3)17-11-15(9-10-16(17)12-19)14-7-5-4-6-8-14/h4-8,15-17,21H,9-11,13H2,1-3H3
InChIKeyMYFXBEWDVYNKSC-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.17
Rot. Bonds4

About 2-[(2-hydroxy-2-methylpropyl)-methylamino]-4-phenylcyclohexane-1-carbonitrile

2-[(2-hydroxy-2-methylpropyl)-methylamino]-4-phenylcyclohexane-1-carbonitrile (PubChem CID 79380287) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylpropyl)-methylamino]-4-phenylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylpropyl)-methylamino]-4-phenylcyclohexane-1-carbonitrile
PubChem CID79380287
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-[(2-hydroxy-2-methylpropyl)-methylamino]-4-phenylcyclohexane-1-carbonitrile
SMILESCN(CC(C)(C)O)C1CC(c2ccccc2)CCC1C#N
InChIInChI=1S/C18H26N2O/c1-18(2,21)13-20(3)17-11-15(9-10-16(17)12-19)14-7-5-4-6-8-14/h4-8,15-17,21H,9-11,13H2,1-3H3
InChIKeyMYFXBEWDVYNKSC-UHFFFAOYSA-N
XLogP3.17
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-4-phenylcyclohexane-1-carbonitrile?
The IUPAC name of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-4-phenylcyclohexane-1-carbonitrile (CID 79380287) is 2-[(2-hydroxy-2-methylpropyl)-methylamino]-4-phenylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-4-phenylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-4-phenylcyclohexane-1-carbonitrile is CN(CC(C)(C)O)C1CC(c2ccccc2)CCC1C#N.
What is the InChIKey of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-4-phenylcyclohexane-1-carbonitrile?
The InChIKey is MYFXBEWDVYNKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-18(2,21)13-20(3)17-11-15(9-10-16(17)12-19)14-7-5-4-6-8-14/h4-8,15-17,21H,9-11,13H2,1-3H3.
What are the key properties of 2-[(2-hydroxy-2-methylpropyl)-methylamino]-4-phenylcyclohexane-1-carbonitrile?
2-[(2-hydroxy-2-methylpropyl)-methylamino]-4-phenylcyclohexane-1-carbonitrile has a molecular weight of 286.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylpropyl)-methylamino]-4-phenylcyclohexane-1-carbonitrile is sourced from PubChem (CID 79380287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).