2-methyl-2-(methylamino)-6-[methyl(2-methylbutan-2-yl)amino]hexanenitrile

C14H29N3 — CID 63966463

IUPAC2-methyl-2-(methylamino)-6-[methyl(2-methylbutan-2-yl)amino]hexanenitrile
SMILESCCC(C)(C)N(C)CCCCC(C)(C#N)NC
InChIInChI=1S/C14H29N3/c1-7-13(2,3)17(6)11-9-8-10-14(4,12-15)16-5/h16H,7-11H2,1-6H3
InChIKeyKKRDAYPMXSMAER-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.78
Rot. Bonds8

About 2-methyl-2-(methylamino)-6-[methyl(2-methylbutan-2-yl)amino]hexanenitrile

2-methyl-2-(methylamino)-6-[methyl(2-methylbutan-2-yl)amino]hexanenitrile (PubChem CID 63966463) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-6-[methyl(2-methylbutan-2-yl)amino]hexanenitrile.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-6-[methyl(2-methylbutan-2-yl)amino]hexanenitrile
PubChem CID63966463
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-methyl-2-(methylamino)-6-[methyl(2-methylbutan-2-yl)amino]hexanenitrile
SMILESCCC(C)(C)N(C)CCCCC(C)(C#N)NC
InChIInChI=1S/C14H29N3/c1-7-13(2,3)17(6)11-9-8-10-14(4,12-15)16-5/h16H,7-11H2,1-6H3
InChIKeyKKRDAYPMXSMAER-UHFFFAOYSA-N
XLogP2.78
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.78
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-methyl-2-(methylamino)-6-[methyl(2-methylbutan-2-yl)amino]hexanenitrile?
The IUPAC name of 2-methyl-2-(methylamino)-6-[methyl(2-methylbutan-2-yl)amino]hexanenitrile (CID 63966463) is 2-methyl-2-(methylamino)-6-[methyl(2-methylbutan-2-yl)amino]hexanenitrile.
What is the SMILES notation for 2-methyl-2-(methylamino)-6-[methyl(2-methylbutan-2-yl)amino]hexanenitrile?
The canonical SMILES for 2-methyl-2-(methylamino)-6-[methyl(2-methylbutan-2-yl)amino]hexanenitrile is CCC(C)(C)N(C)CCCCC(C)(C#N)NC.
What is the InChIKey of 2-methyl-2-(methylamino)-6-[methyl(2-methylbutan-2-yl)amino]hexanenitrile?
The InChIKey is KKRDAYPMXSMAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-7-13(2,3)17(6)11-9-8-10-14(4,12-15)16-5/h16H,7-11H2,1-6H3.
What are the key properties of 2-methyl-2-(methylamino)-6-[methyl(2-methylbutan-2-yl)amino]hexanenitrile?
2-methyl-2-(methylamino)-6-[methyl(2-methylbutan-2-yl)amino]hexanenitrile has a molecular weight of 239.41 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-6-[methyl(2-methylbutan-2-yl)amino]hexanenitrile is sourced from PubChem (CID 63966463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).