6-(2,3,5,6-tetramethylphenyl)hexan-1-amine

C16H27N — CID 65300906

IUPAC6-(2,3,5,6-tetramethylphenyl)hexan-1-amine
SMILESCc1cc(C)c(C)c(CCCCCCN)c1C
InChIInChI=1S/C16H27N/c1-12-11-13(2)15(4)16(14(12)3)9-7-5-6-8-10-17/h11H,5-10,17H2,1-4H3
InChIKeyZFASTVFSNBYKDY-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.98
Rot. Bonds6

About 6-(2,3,5,6-tetramethylphenyl)hexan-1-amine

6-(2,3,5,6-tetramethylphenyl)hexan-1-amine (PubChem CID 65300906) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 6-(2,3,5,6-tetramethylphenyl)hexan-1-amine.

Molecular Properties

Compound Name6-(2,3,5,6-tetramethylphenyl)hexan-1-amine
PubChem CID65300906
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name6-(2,3,5,6-tetramethylphenyl)hexan-1-amine
SMILESCc1cc(C)c(C)c(CCCCCCN)c1C
InChIInChI=1S/C16H27N/c1-12-11-13(2)15(4)16(14(12)3)9-7-5-6-8-10-17/h11H,5-10,17H2,1-4H3
InChIKeyZFASTVFSNBYKDY-UHFFFAOYSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-(2,3,5,6-tetramethylphenyl)hexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,3,5,6-tetramethylphenyl)butan-1-amine
CID 65300958
4-(2,4,6-trimethylphenyl)butan-1-amine
CID 19966399
N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine
CID 115197180
3-(2-chloroethyl)-1,2,4,5-tetramethylbenzene
CID 53403936
3-(3,5-difluoro-2,6-dimethylphenyl)propan-1-amine
CID 84775331
2-methyl-5-(2,3,5,6-tetramethylphenyl)pentan-2-amine
CID 82129151
2-(2-fluoro-3,5,6-trimethylphenyl)ethanamine
CID 84768579
3-(2,3,4,5,6-pentamethylphenyl)propan-1-amine
CID 59138114
3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-1-amine
CID 117307547
7-(4-aminobutyl)-3,3,5,6-tetramethyl-1H-indol-2-one
CID 82190724
hexane-1,6-diamine;methanamine
CID 174275715
12-(2,4-dimethylphenyl)dodecan-1-amine
CID 70565754

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,5,6-tetramethylphenyl)hexan-1-amine?
The IUPAC name of 6-(2,3,5,6-tetramethylphenyl)hexan-1-amine (CID 65300906) is 6-(2,3,5,6-tetramethylphenyl)hexan-1-amine.
What is the SMILES notation for 6-(2,3,5,6-tetramethylphenyl)hexan-1-amine?
The canonical SMILES for 6-(2,3,5,6-tetramethylphenyl)hexan-1-amine is Cc1cc(C)c(C)c(CCCCCCN)c1C.
What is the InChIKey of 6-(2,3,5,6-tetramethylphenyl)hexan-1-amine?
The InChIKey is ZFASTVFSNBYKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-12-11-13(2)15(4)16(14(12)3)9-7-5-6-8-10-17/h11H,5-10,17H2,1-4H3.
What are the key properties of 6-(2,3,5,6-tetramethylphenyl)hexan-1-amine?
6-(2,3,5,6-tetramethylphenyl)hexan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,5,6-tetramethylphenyl)hexan-1-amine is sourced from PubChem (CID 65300906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).