5-(cyclohexylmethoxy)-2-methyl-2-(methylamino)pentanenitrile

C14H26N2O — CID 62383781

IUPAC5-(cyclohexylmethoxy)-2-methyl-2-(methylamino)pentanenitrile
SMILESCNC(C)(C#N)CCCOCC1CCCCC1
InChIInChI=1S/C14H26N2O/c1-14(12-15,16-2)9-6-10-17-11-13-7-4-3-5-8-13/h13,16H,3-11H2,1-2H3
InChIKeyXKRDINXCQVWCMB-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.87
Rot. Bonds7

About 5-(cyclohexylmethoxy)-2-methyl-2-(methylamino)pentanenitrile

5-(cyclohexylmethoxy)-2-methyl-2-(methylamino)pentanenitrile (PubChem CID 62383781) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 5-(cyclohexylmethoxy)-2-methyl-2-(methylamino)pentanenitrile.

Molecular Properties

Compound Name5-(cyclohexylmethoxy)-2-methyl-2-(methylamino)pentanenitrile
PubChem CID62383781
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name5-(cyclohexylmethoxy)-2-methyl-2-(methylamino)pentanenitrile
SMILESCNC(C)(C#N)CCCOCC1CCCCC1
InChIInChI=1S/C14H26N2O/c1-14(12-15,16-2)9-6-10-17-11-13-7-4-3-5-8-13/h13,16H,3-11H2,1-2H3
InChIKeyXKRDINXCQVWCMB-UHFFFAOYSA-N
XLogP2.87
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethoxy)-2-methyl-2-(methylamino)pentanenitrile?
The IUPAC name of 5-(cyclohexylmethoxy)-2-methyl-2-(methylamino)pentanenitrile (CID 62383781) is 5-(cyclohexylmethoxy)-2-methyl-2-(methylamino)pentanenitrile.
What is the SMILES notation for 5-(cyclohexylmethoxy)-2-methyl-2-(methylamino)pentanenitrile?
The canonical SMILES for 5-(cyclohexylmethoxy)-2-methyl-2-(methylamino)pentanenitrile is CNC(C)(C#N)CCCOCC1CCCCC1.
What is the InChIKey of 5-(cyclohexylmethoxy)-2-methyl-2-(methylamino)pentanenitrile?
The InChIKey is XKRDINXCQVWCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(12-15,16-2)9-6-10-17-11-13-7-4-3-5-8-13/h13,16H,3-11H2,1-2H3.
What are the key properties of 5-(cyclohexylmethoxy)-2-methyl-2-(methylamino)pentanenitrile?
5-(cyclohexylmethoxy)-2-methyl-2-(methylamino)pentanenitrile has a molecular weight of 238.37 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethoxy)-2-methyl-2-(methylamino)pentanenitrile is sourced from PubChem (CID 62383781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).