4-methyl-N-(2,2,5-trimethylhex-4-enyl)aniline

C16H25N — CID 3134445

IUPAC4-methyl-N-(2,2,5-trimethylhex-4-enyl)aniline
SMILESCC(C)=CCC(C)(C)CNc1ccc(C)cc1
InChIInChI=1S/C16H25N/c1-13(2)10-11-16(4,5)12-17-15-8-6-14(3)7-9-15/h6-10,17H,11-12H2,1-5H3
InChIKeyOYRRBICTGNASMP-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.79
Rot. Bonds5

About 4-methyl-N-(2,2,5-trimethylhex-4-enyl)aniline

4-methyl-N-(2,2,5-trimethylhex-4-enyl)aniline (PubChem CID 3134445) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-methyl-N-(2,2,5-trimethylhex-4-enyl)aniline.

Molecular Properties

Compound Name4-methyl-N-(2,2,5-trimethylhex-4-enyl)aniline
PubChem CID3134445
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name4-methyl-N-(2,2,5-trimethylhex-4-enyl)aniline
SMILESCC(C)=CCC(C)(C)CNc1ccc(C)cc1
InChIInChI=1S/C16H25N/c1-13(2)10-11-16(4,5)12-17-15-8-6-14(3)7-9-15/h6-10,17H,11-12H2,1-5H3
InChIKeyOYRRBICTGNASMP-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2,2,5-trimethylhex-4-enyl)aniline?
The IUPAC name of 4-methyl-N-(2,2,5-trimethylhex-4-enyl)aniline (CID 3134445) is 4-methyl-N-(2,2,5-trimethylhex-4-enyl)aniline.
What is the SMILES notation for 4-methyl-N-(2,2,5-trimethylhex-4-enyl)aniline?
The canonical SMILES for 4-methyl-N-(2,2,5-trimethylhex-4-enyl)aniline is CC(C)=CCC(C)(C)CNc1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(2,2,5-trimethylhex-4-enyl)aniline?
The InChIKey is OYRRBICTGNASMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13(2)10-11-16(4,5)12-17-15-8-6-14(3)7-9-15/h6-10,17H,11-12H2,1-5H3.
What are the key properties of 4-methyl-N-(2,2,5-trimethylhex-4-enyl)aniline?
4-methyl-N-(2,2,5-trimethylhex-4-enyl)aniline has a molecular weight of 231.38 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2,2,5-trimethylhex-4-enyl)aniline is sourced from PubChem (CID 3134445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).