2,2-dimethyl-5-(2,4,4-trimethylpentan-2-ylamino)pentanenitrile

C15H30N2 — CID 65253879

IUPAC2,2-dimethyl-5-(2,4,4-trimethylpentan-2-ylamino)pentanenitrile
SMILESCC(C)(C)CC(C)(C)NCCCC(C)(C)C#N
InChIInChI=1S/C15H30N2/c1-13(2,3)11-15(6,7)17-10-8-9-14(4,5)12-16/h17H,8-11H2,1-7H3
InChIKeyVUVMYTDFMVPEEK-UHFFFAOYSA-N
MW238.42 g/mol
LogP4.12
Rot. Bonds6

About 2,2-dimethyl-5-(2,4,4-trimethylpentan-2-ylamino)pentanenitrile

2,2-dimethyl-5-(2,4,4-trimethylpentan-2-ylamino)pentanenitrile (PubChem CID 65253879) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2,4,4-trimethylpentan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-(2,4,4-trimethylpentan-2-ylamino)pentanenitrile
PubChem CID65253879
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2,2-dimethyl-5-(2,4,4-trimethylpentan-2-ylamino)pentanenitrile
SMILESCC(C)(C)CC(C)(C)NCCCC(C)(C)C#N
InChIInChI=1S/C15H30N2/c1-13(2,3)11-15(6,7)17-10-8-9-14(4,5)12-16/h17H,8-11H2,1-7H3
InChIKeyVUVMYTDFMVPEEK-UHFFFAOYSA-N
XLogP4.12
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,2-dimethyl-5-(2,4,4-trimethylpentan-2-ylamino)pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-(2,4,4-trimethylpentan-2-ylamino)pentanenitrile (CID 65253879) is 2,2-dimethyl-5-(2,4,4-trimethylpentan-2-ylamino)pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-(2,4,4-trimethylpentan-2-ylamino)pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-(2,4,4-trimethylpentan-2-ylamino)pentanenitrile is CC(C)(C)CC(C)(C)NCCCC(C)(C)C#N.
What is the InChIKey of 2,2-dimethyl-5-(2,4,4-trimethylpentan-2-ylamino)pentanenitrile?
The InChIKey is VUVMYTDFMVPEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-13(2,3)11-15(6,7)17-10-8-9-14(4,5)12-16/h17H,8-11H2,1-7H3.
What are the key properties of 2,2-dimethyl-5-(2,4,4-trimethylpentan-2-ylamino)pentanenitrile?
2,2-dimethyl-5-(2,4,4-trimethylpentan-2-ylamino)pentanenitrile has a molecular weight of 238.42 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(2,4,4-trimethylpentan-2-ylamino)pentanenitrile is sourced from PubChem (CID 65253879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).