2-(tert-butylamino)-6-(dimethylamino)hexanenitrile

C12H25N3 — CID 20825481

IUPAC2-(tert-butylamino)-6-(dimethylamino)hexanenitrile
SMILESCN(C)CCCCC(C#N)NC(C)(C)C
InChIInChI=1S/C12H25N3/c1-12(2,3)14-11(10-13)8-6-7-9-15(4)5/h11,14H,6-9H2,1-5H3
InChIKeyJECHWAUNPRWZTN-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.00
Rot. Bonds6

About 2-(tert-butylamino)-6-(dimethylamino)hexanenitrile

2-(tert-butylamino)-6-(dimethylamino)hexanenitrile (PubChem CID 20825481) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(tert-butylamino)-6-(dimethylamino)hexanenitrile.

Molecular Properties

Compound Name2-(tert-butylamino)-6-(dimethylamino)hexanenitrile
PubChem CID20825481
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name2-(tert-butylamino)-6-(dimethylamino)hexanenitrile
SMILESCN(C)CCCCC(C#N)NC(C)(C)C
InChIInChI=1S/C12H25N3/c1-12(2,3)14-11(10-13)8-6-7-9-15(4)5/h11,14H,6-9H2,1-5H3
InChIKeyJECHWAUNPRWZTN-UHFFFAOYSA-N
XLogP2.00
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.00
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 2-(tert-butylamino)-6-(dimethylamino)hexanenitrile?
The IUPAC name of 2-(tert-butylamino)-6-(dimethylamino)hexanenitrile (CID 20825481) is 2-(tert-butylamino)-6-(dimethylamino)hexanenitrile.
What is the SMILES notation for 2-(tert-butylamino)-6-(dimethylamino)hexanenitrile?
The canonical SMILES for 2-(tert-butylamino)-6-(dimethylamino)hexanenitrile is CN(C)CCCCC(C#N)NC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-6-(dimethylamino)hexanenitrile?
The InChIKey is JECHWAUNPRWZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-12(2,3)14-11(10-13)8-6-7-9-15(4)5/h11,14H,6-9H2,1-5H3.
What are the key properties of 2-(tert-butylamino)-6-(dimethylamino)hexanenitrile?
2-(tert-butylamino)-6-(dimethylamino)hexanenitrile has a molecular weight of 211.35 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-6-(dimethylamino)hexanenitrile is sourced from PubChem (CID 20825481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).