5-[3,3-dimethylbutan-2-yl(methyl)amino]-2,2-dimethylpentanenitrile

C14H28N2 — CID 65257362

IUPAC5-[3,3-dimethylbutan-2-yl(methyl)amino]-2,2-dimethylpentanenitrile
SMILESCC(N(C)CCCC(C)(C)C#N)C(C)(C)C
InChIInChI=1S/C14H28N2/c1-12(13(2,3)4)16(7)10-8-9-14(5,6)11-15/h12H,8-10H2,1-7H3
InChIKeyMHYMIIQHZMXGKI-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.68
Rot. Bonds5

About 5-[3,3-dimethylbutan-2-yl(methyl)amino]-2,2-dimethylpentanenitrile

5-[3,3-dimethylbutan-2-yl(methyl)amino]-2,2-dimethylpentanenitrile (PubChem CID 65257362) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 5-[3,3-dimethylbutan-2-yl(methyl)amino]-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[3,3-dimethylbutan-2-yl(methyl)amino]-2,2-dimethylpentanenitrile
PubChem CID65257362
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name5-[3,3-dimethylbutan-2-yl(methyl)amino]-2,2-dimethylpentanenitrile
SMILESCC(N(C)CCCC(C)(C)C#N)C(C)(C)C
InChIInChI=1S/C14H28N2/c1-12(13(2,3)4)16(7)10-8-9-14(5,6)11-15/h12H,8-10H2,1-7H3
InChIKeyMHYMIIQHZMXGKI-UHFFFAOYSA-N
XLogP3.68
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-6-[methyl(pentan-3-yl)amino]hexanenitrile
CID 106709842
4-[butan-2-yl(methyl)amino]-2,2-dimethylbutanenitrile
CID 65251542
5-[1-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpentanenitrile
CID 65257421
5-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylpentanenitrile
CID 82951838
6-[3,3-dimethylbutan-2-yl(methyl)amino]hexan-3-ol
CID 106802317
5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2,2-dimethylpentanenitrile
CID 65257196
1-N-(3,3-dimethylbutan-2-yl)-1-N,4-N-dimethylhexane-1,4-diamine
CID 106799622
6-[2-(dimethylamino)ethyl-methylamino]-2,2-dimethylhexanenitrile
CID 106710028
6-[2,2-dimethylpropyl(methyl)amino]-2,2-dimethylhexanenitrile
CID 106709964
6-[2-hydroxyethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile
CID 106709935
5-[ethyl(2-ethylbutyl)amino]-2,2-dimethylpentanenitrile
CID 65257246
6-[2-cyanoethyl(propan-2-yl)amino]-2,2-dimethylhexanenitrile
CID 106709737

Frequently Asked Questions

What is the IUPAC name of 5-[3,3-dimethylbutan-2-yl(methyl)amino]-2,2-dimethylpentanenitrile?
The IUPAC name of 5-[3,3-dimethylbutan-2-yl(methyl)amino]-2,2-dimethylpentanenitrile (CID 65257362) is 5-[3,3-dimethylbutan-2-yl(methyl)amino]-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-[3,3-dimethylbutan-2-yl(methyl)amino]-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-[3,3-dimethylbutan-2-yl(methyl)amino]-2,2-dimethylpentanenitrile is CC(N(C)CCCC(C)(C)C#N)C(C)(C)C.
What is the InChIKey of 5-[3,3-dimethylbutan-2-yl(methyl)amino]-2,2-dimethylpentanenitrile?
The InChIKey is MHYMIIQHZMXGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12(13(2,3)4)16(7)10-8-9-14(5,6)11-15/h12H,8-10H2,1-7H3.
What are the key properties of 5-[3,3-dimethylbutan-2-yl(methyl)amino]-2,2-dimethylpentanenitrile?
5-[3,3-dimethylbutan-2-yl(methyl)amino]-2,2-dimethylpentanenitrile has a molecular weight of 224.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,3-dimethylbutan-2-yl(methyl)amino]-2,2-dimethylpentanenitrile is sourced from PubChem (CID 65257362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).