2,2-dimethyl-3-[(2,4,4-trimethylcyclopentyl)amino]propanenitrile

C13H24N2 — CID 106662827

IUPAC2,2-dimethyl-3-[(2,4,4-trimethylcyclopentyl)amino]propanenitrile
SMILESCC1CC(C)(C)CC1NCC(C)(C)C#N
InChIInChI=1S/C13H24N2/c1-10-6-12(2,3)7-11(10)15-9-13(4,5)8-14/h10-11,15H,6-7,9H2,1-5H3
InChIKeyLCVIYBQIQHVBCB-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.95
Rot. Bonds3

About 2,2-dimethyl-3-[(2,4,4-trimethylcyclopentyl)amino]propanenitrile

2,2-dimethyl-3-[(2,4,4-trimethylcyclopentyl)amino]propanenitrile (PubChem CID 106662827) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2,4,4-trimethylcyclopentyl)amino]propanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2,4,4-trimethylcyclopentyl)amino]propanenitrile
PubChem CID106662827
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2,2-dimethyl-3-[(2,4,4-trimethylcyclopentyl)amino]propanenitrile
SMILESCC1CC(C)(C)CC1NCC(C)(C)C#N
InChIInChI=1S/C13H24N2/c1-10-6-12(2,3)7-11(10)15-9-13(4,5)8-14/h10-11,15H,6-7,9H2,1-5H3
InChIKeyLCVIYBQIQHVBCB-UHFFFAOYSA-N
XLogP2.95
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2,4,4-trimethylcyclopentyl)amino]propanenitrile?
The IUPAC name of 2,2-dimethyl-3-[(2,4,4-trimethylcyclopentyl)amino]propanenitrile (CID 106662827) is 2,2-dimethyl-3-[(2,4,4-trimethylcyclopentyl)amino]propanenitrile.
What is the SMILES notation for 2,2-dimethyl-3-[(2,4,4-trimethylcyclopentyl)amino]propanenitrile?
The canonical SMILES for 2,2-dimethyl-3-[(2,4,4-trimethylcyclopentyl)amino]propanenitrile is CC1CC(C)(C)CC1NCC(C)(C)C#N.
What is the InChIKey of 2,2-dimethyl-3-[(2,4,4-trimethylcyclopentyl)amino]propanenitrile?
The InChIKey is LCVIYBQIQHVBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-10-6-12(2,3)7-11(10)15-9-13(4,5)8-14/h10-11,15H,6-7,9H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-[(2,4,4-trimethylcyclopentyl)amino]propanenitrile?
2,2-dimethyl-3-[(2,4,4-trimethylcyclopentyl)amino]propanenitrile has a molecular weight of 208.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2,4,4-trimethylcyclopentyl)amino]propanenitrile is sourced from PubChem (CID 106662827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).