6-[2-cyanoethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile

C14H25N3 — CID 106709737

IUPAC6-[2-cyanoethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile
SMILESCC(C)N(CCC#N)CCCCC(C)(C)C#N
InChIInChI=1S/C14H25N3/c1-13(2)17(11-7-9-15)10-6-5-8-14(3,4)12-16/h13H,5-8,10-11H2,1-4H3
InChIKeyBBBLZROUORCGEU-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.33
Rot. Bonds8

About 6-[2-cyanoethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile

6-[2-cyanoethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile (PubChem CID 106709737) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 6-[2-cyanoethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile.

Molecular Properties

Compound Name6-[2-cyanoethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile
PubChem CID106709737
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name6-[2-cyanoethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile
SMILESCC(C)N(CCC#N)CCCCC(C)(C)C#N
InChIInChI=1S/C14H25N3/c1-13(2)17(11-7-9-15)10-6-5-8-14(3,4)12-16/h13H,5-8,10-11H2,1-4H3
InChIKeyBBBLZROUORCGEU-UHFFFAOYSA-N
XLogP3.33
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile
CID 106709935
3-[2-cyanoethyl(propan-2-yl)amino]propanenitrile
CID 15076035
5-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylpentanenitrile
CID 82951838
ethyl 2-[(5-cyano-5-methylhexyl)-propan-2-ylamino]acetate
CID 106713790
3-[6-chlorohexyl(propan-2-yl)amino]propanenitrile
CID 62229326
5-[pentyl(propan-2-yl)amino]pentanenitrile
CID 55208074
2,2-dimethyl-6-[propan-2-yl(thiophen-2-ylmethyl)amino]hexanenitrile
CID 106709914
3-[3-methylbut-3-enyl(propan-2-yl)amino]propanenitrile
CID 114449032
2,2-dimethylpentanedinitrile
CID 19809777
2,2-dimethyl-6-[methyl(pentan-3-yl)amino]hexanenitrile
CID 106709842
5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanenitrile
CID 65257196
6-[2-(dimethylamino)ethyl-methylamino]-2,2-dimethylhexanenitrile
CID 106710028

Frequently Asked Questions

What is the IUPAC name of 6-[2-cyanoethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile?
The IUPAC name of 6-[2-cyanoethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile (CID 106709737) is 6-[2-cyanoethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile.
What is the SMILES notation for 6-[2-cyanoethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile?
The canonical SMILES for 6-[2-cyanoethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile is CC(C)N(CCC#N)CCCCC(C)(C)C#N.
What is the InChIKey of 6-[2-cyanoethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile?
The InChIKey is BBBLZROUORCGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-13(2)17(11-7-9-15)10-6-5-8-14(3,4)12-16/h13H,5-8,10-11H2,1-4H3.
What are the key properties of 6-[2-cyanoethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile?
6-[2-cyanoethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile has a molecular weight of 235.37 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-cyanoethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile is sourced from PubChem (CID 106709737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).