4-[1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropyl]aniline

C16H25N — CID 89150922

IUPAC4-[1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropyl]aniline
SMILESCC(C)(C)CC1(c2ccc(N)cc2)CC1(C)C
InChIInChI=1S/C16H25N/c1-14(2,3)10-16(11-15(16,4)5)12-6-8-13(17)9-7-12/h6-9H,10-11,17H2,1-5H3
InChIKeyMVSOGXAGEIOBRH-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.37
Rot. Bonds2

About 4-[1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropyl]aniline

4-[1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropyl]aniline (PubChem CID 89150922) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-[1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropyl]aniline.

Molecular Properties

Compound Name4-[1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropyl]aniline
PubChem CID89150922
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name4-[1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropyl]aniline
SMILESCC(C)(C)CC1(c2ccc(N)cc2)CC1(C)C
InChIInChI=1S/C16H25N/c1-14(2,3)10-16(11-15(16,4)5)12-6-8-13(17)9-7-12/h6-9H,10-11,17H2,1-5H3
InChIKeyMVSOGXAGEIOBRH-UHFFFAOYSA-N
XLogP4.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropyl]aniline?
The IUPAC name of 4-[1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropyl]aniline (CID 89150922) is 4-[1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropyl]aniline.
What is the SMILES notation for 4-[1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropyl]aniline?
The canonical SMILES for 4-[1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropyl]aniline is CC(C)(C)CC1(c2ccc(N)cc2)CC1(C)C.
What is the InChIKey of 4-[1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropyl]aniline?
The InChIKey is MVSOGXAGEIOBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-14(2,3)10-16(11-15(16,4)5)12-6-8-13(17)9-7-12/h6-9H,10-11,17H2,1-5H3.
What are the key properties of 4-[1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropyl]aniline?
4-[1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropyl]aniline has a molecular weight of 231.38 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,2-dimethylpropyl)-2,2-dimethylcyclopropyl]aniline is sourced from PubChem (CID 89150922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).