N-(2,2-dimethylpropyl)aniline

C11H17N — CID 571508

IUPACN-(2,2-dimethylpropyl)aniline
SMILESCC(C)(C)CNc1ccccc1
InChIInChI=1S/C11H17N/c1-11(2,3)9-12-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
InChIKeyVSKKJZDWXKPOGW-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.14
Rot. Bonds2

About N-(2,2-dimethylpropyl)aniline

N-(2,2-dimethylpropyl)aniline (PubChem CID 571508) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)aniline.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)aniline
PubChem CID571508
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-(2,2-dimethylpropyl)aniline
SMILESCC(C)(C)CNc1ccccc1
InChIInChI=1S/C11H17N/c1-11(2,3)9-12-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3
InChIKeyVSKKJZDWXKPOGW-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)aniline?
The IUPAC name of N-(2,2-dimethylpropyl)aniline (CID 571508) is N-(2,2-dimethylpropyl)aniline.
What is the SMILES notation for N-(2,2-dimethylpropyl)aniline?
The canonical SMILES for N-(2,2-dimethylpropyl)aniline is CC(C)(C)CNc1ccccc1.
What is the InChIKey of N-(2,2-dimethylpropyl)aniline?
The InChIKey is VSKKJZDWXKPOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-11(2,3)9-12-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3.
What are the key properties of N-(2,2-dimethylpropyl)aniline?
N-(2,2-dimethylpropyl)aniline has a molecular weight of 163.26 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)aniline is sourced from PubChem (CID 571508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).