6-(dimethylamino)-2-methylhexanenitrile

C9H18N2 — CID 54049734

IUPAC6-(dimethylamino)-2-methylhexanenitrile
SMILESCC(C#N)CCCCN(C)C
InChIInChI=1S/C9H18N2/c1-9(8-10)6-4-5-7-11(2)3/h9H,4-7H2,1-3H3
InChIKeyNBZYQFKUFQBLIT-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.88
Rot. Bonds5

About 6-(dimethylamino)-2-methylhexanenitrile

6-(dimethylamino)-2-methylhexanenitrile (PubChem CID 54049734) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 6-(dimethylamino)-2-methylhexanenitrile.

Molecular Properties

Compound Name6-(dimethylamino)-2-methylhexanenitrile
PubChem CID54049734
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name6-(dimethylamino)-2-methylhexanenitrile
SMILESCC(C#N)CCCCN(C)C
InChIInChI=1S/C9H18N2/c1-9(8-10)6-4-5-7-11(2)3/h9H,4-7H2,1-3H3
InChIKeyNBZYQFKUFQBLIT-UHFFFAOYSA-N
XLogP1.88
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethylheptanedinitrile
CID 15584321
5-(dipropylamino)-2-methylpentanenitrile
CID 143685466
3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile
CID 115630903
N,N,20-trimethylhenicosan-1-amine;hydrochloride
CID 173055097
4-[ethyl(methyl)amino]-2-methylbutanenitrile
CID 88586045
N,N,N',N',2-pentamethylhexane-1,6-diamine
CID 161408283
4-(dimethylamino)butanenitrile;hydrobromide
CID 46786342
2-methylhexadec-15-enenitrile
CID 54387096
1-N,1-N,5-N,5-N,6-pentamethylheptane-1,5-diamine
CID 170658406
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
2-[3-(dimethylamino)propyl-ethylamino]propanenitrile
CID 102993262
2-methyl-3-[methyl(pentyl)amino]propanenitrile
CID 43294879

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-methylhexanenitrile?
The IUPAC name of 6-(dimethylamino)-2-methylhexanenitrile (CID 54049734) is 6-(dimethylamino)-2-methylhexanenitrile.
What is the SMILES notation for 6-(dimethylamino)-2-methylhexanenitrile?
The canonical SMILES for 6-(dimethylamino)-2-methylhexanenitrile is CC(C#N)CCCCN(C)C.
What is the InChIKey of 6-(dimethylamino)-2-methylhexanenitrile?
The InChIKey is NBZYQFKUFQBLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-9(8-10)6-4-5-7-11(2)3/h9H,4-7H2,1-3H3.
What are the key properties of 6-(dimethylamino)-2-methylhexanenitrile?
6-(dimethylamino)-2-methylhexanenitrile has a molecular weight of 154.26 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-methylhexanenitrile is sourced from PubChem (CID 54049734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).