2,2-dimethyl-6-[1-(methylamino)propan-2-yloxy]hexanenitrile

C12H24N2O — CID 106713109

IUPAC2,2-dimethyl-6-[1-(methylamino)propan-2-yloxy]hexanenitrile
SMILESCNCC(C)OCCCCC(C)(C)C#N
InChIInChI=1S/C12H24N2O/c1-11(9-14-4)15-8-6-5-7-12(2,3)10-13/h11,14H,5-9H2,1-4H3
InChIKeyCVGAZDYZHUBPHL-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.33
Rot. Bonds8

About 2,2-dimethyl-6-[1-(methylamino)propan-2-yloxy]hexanenitrile

2,2-dimethyl-6-[1-(methylamino)propan-2-yloxy]hexanenitrile (PubChem CID 106713109) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2,2-dimethyl-6-[1-(methylamino)propan-2-yloxy]hexanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-6-[1-(methylamino)propan-2-yloxy]hexanenitrile
PubChem CID106713109
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2,2-dimethyl-6-[1-(methylamino)propan-2-yloxy]hexanenitrile
SMILESCNCC(C)OCCCCC(C)(C)C#N
InChIInChI=1S/C12H24N2O/c1-11(9-14-4)15-8-6-5-7-12(2,3)10-13/h11,14H,5-9H2,1-4H3
InChIKeyCVGAZDYZHUBPHL-UHFFFAOYSA-N
XLogP2.33
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.33
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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Related Compounds

2,2-dimethyl-6-[2-(methylamino)ethoxy]hexanenitrile
CID 106713108
2,2-dimethyl-5-(4-methylpentoxy)pentanenitrile
CID 65257380
2,2-dimethyl-6-propoxyhexanenitrile
CID 106710437
2-methyl-2-(methylamino)-4-octoxypentanenitrile
CID 64728157
2,2-dimethyl-6-(3-methylpentan-2-ylamino)hexanenitrile
CID 106709171
2,2-dimethyl-4-(methylamino)butanenitrile
CID 65247172
6-[(2-hydroxy-3-methylbutyl)amino]-2,2-dimethylhexanenitrile
CID 106709632
N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine
CID 114470646
2,2-dimethyl-6-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]hexanenitrile
CID 106708794
6-(2-ethylbutylamino)-2,2-dimethylhexanenitrile
CID 106709649
6-[(E)-but-2-enoxy]-2,2-dimethylhexanenitrile
CID 106710483
6-[4-bromo-2-(methylaminomethyl)phenoxy]-2,2-dimethylhexanenitrile
CID 106708771

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[1-(methylamino)propan-2-yloxy]hexanenitrile?
The IUPAC name of 2,2-dimethyl-6-[1-(methylamino)propan-2-yloxy]hexanenitrile (CID 106713109) is 2,2-dimethyl-6-[1-(methylamino)propan-2-yloxy]hexanenitrile.
What is the SMILES notation for 2,2-dimethyl-6-[1-(methylamino)propan-2-yloxy]hexanenitrile?
The canonical SMILES for 2,2-dimethyl-6-[1-(methylamino)propan-2-yloxy]hexanenitrile is CNCC(C)OCCCCC(C)(C)C#N.
What is the InChIKey of 2,2-dimethyl-6-[1-(methylamino)propan-2-yloxy]hexanenitrile?
The InChIKey is CVGAZDYZHUBPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(9-14-4)15-8-6-5-7-12(2,3)10-13/h11,14H,5-9H2,1-4H3.
What are the key properties of 2,2-dimethyl-6-[1-(methylamino)propan-2-yloxy]hexanenitrile?
2,2-dimethyl-6-[1-(methylamino)propan-2-yloxy]hexanenitrile has a molecular weight of 212.34 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[1-(methylamino)propan-2-yloxy]hexanenitrile is sourced from PubChem (CID 106713109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).