2-methyl-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanenitrile

C15H22N2 — CID 115129421

IUPAC2-methyl-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanenitrile
SMILESCc1cc(C)c(CN(C)C(C)(C)C#N)c(C)c1
InChIInChI=1S/C15H22N2/c1-11-7-12(2)14(13(3)8-11)9-17(6)15(4,5)10-16/h7-8H,9H2,1-6H3
InChIKeyMNSIMTYVRADUFN-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.35
Rot. Bonds3

About 2-methyl-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanenitrile

2-methyl-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanenitrile (PubChem CID 115129421) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanenitrile
PubChem CID115129421
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-methyl-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanenitrile
SMILESCc1cc(C)c(CN(C)C(C)(C)C#N)c(C)c1
InChIInChI=1S/C15H22N2/c1-11-7-12(2)14(13(3)8-11)9-17(6)15(4,5)10-16/h7-8H,9H2,1-6H3
InChIKeyMNSIMTYVRADUFN-UHFFFAOYSA-N
XLogP3.35
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanenitrile?
The IUPAC name of 2-methyl-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanenitrile (CID 115129421) is 2-methyl-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanenitrile.
What is the SMILES notation for 2-methyl-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanenitrile?
The canonical SMILES for 2-methyl-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanenitrile is Cc1cc(C)c(CN(C)C(C)(C)C#N)c(C)c1.
What is the InChIKey of 2-methyl-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanenitrile?
The InChIKey is MNSIMTYVRADUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11-7-12(2)14(13(3)8-11)9-17(6)15(4,5)10-16/h7-8H,9H2,1-6H3.
What are the key properties of 2-methyl-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanenitrile?
2-methyl-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanenitrile has a molecular weight of 230.35 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanenitrile is sourced from PubChem (CID 115129421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).