N-(4,4-dimethylpentan-2-yl)aniline

C13H21N — CID 15621092

IUPACN-(4,4-dimethylpentan-2-yl)aniline
SMILESCC(CC(C)(C)C)Nc1ccccc1
InChIInChI=1S/C13H21N/c1-11(10-13(2,3)4)14-12-8-6-5-7-9-12/h5-9,11,14H,10H2,1-4H3
InChIKeyFBHAXXYVBZIPGS-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.92
Rot. Bonds3

About N-(4,4-dimethylpentan-2-yl)aniline

N-(4,4-dimethylpentan-2-yl)aniline (PubChem CID 15621092) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-(4,4-dimethylpentan-2-yl)aniline.

Molecular Properties

Compound NameN-(4,4-dimethylpentan-2-yl)aniline
PubChem CID15621092
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-(4,4-dimethylpentan-2-yl)aniline
SMILESCC(CC(C)(C)C)Nc1ccccc1
InChIInChI=1S/C13H21N/c1-11(10-13(2,3)4)14-12-8-6-5-7-9-12/h5-9,11,14H,10H2,1-4H3
InChIKeyFBHAXXYVBZIPGS-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentan-2-yl)aniline?
The IUPAC name of N-(4,4-dimethylpentan-2-yl)aniline (CID 15621092) is N-(4,4-dimethylpentan-2-yl)aniline.
What is the SMILES notation for N-(4,4-dimethylpentan-2-yl)aniline?
The canonical SMILES for N-(4,4-dimethylpentan-2-yl)aniline is CC(CC(C)(C)C)Nc1ccccc1.
What is the InChIKey of N-(4,4-dimethylpentan-2-yl)aniline?
The InChIKey is FBHAXXYVBZIPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-11(10-13(2,3)4)14-12-8-6-5-7-9-12/h5-9,11,14H,10H2,1-4H3.
What are the key properties of N-(4,4-dimethylpentan-2-yl)aniline?
N-(4,4-dimethylpentan-2-yl)aniline has a molecular weight of 191.32 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentan-2-yl)aniline is sourced from PubChem (CID 15621092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).