2,6-dimethyl-N-(4-methylpentyl)aniline

C14H23N — CID 83156860

IUPAC2,6-dimethyl-N-(4-methylpentyl)aniline
SMILESCc1cccc(C)c1NCCCC(C)C
InChIInChI=1S/C14H23N/c1-11(2)7-6-10-15-14-12(3)8-5-9-13(14)4/h5,8-9,11,15H,6-7,10H2,1-4H3
InChIKeyLTANGNBWOZBMSV-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.15
Rot. Bonds5

About 2,6-dimethyl-N-(4-methylpentyl)aniline

2,6-dimethyl-N-(4-methylpentyl)aniline (PubChem CID 83156860) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 2,6-dimethyl-N-(4-methylpentyl)aniline.

Molecular Properties

Compound Name2,6-dimethyl-N-(4-methylpentyl)aniline
PubChem CID83156860
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name2,6-dimethyl-N-(4-methylpentyl)aniline
SMILESCc1cccc(C)c1NCCCC(C)C
InChIInChI=1S/C14H23N/c1-11(2)7-6-10-15-14-12(3)8-5-9-13(14)4/h5,8-9,11,15H,6-7,10H2,1-4H3
InChIKeyLTANGNBWOZBMSV-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2,6-dimethylphenyl)butane-1,4-diamine
CID 10982540
3-fluoro-2-N-(4-methylpentyl)benzene-1,2-diamine
CID 115125827
3-methyl-2-(3-methylbutylamino)benzenecarbothioamide
CID 107107719
3-chloro-2-methyl-N-(4-methylpentyl)aniline
CID 83155980
1-amino-5-(2,6-dimethylanilino)-1-phenoxypentan-2-ol
CID 20520919
N,N'-bis(2,6-dimethylphenyl)methanediamine
CID 21130207
2-methyl-4-N-(4-methylpentyl)benzene-1,4-diamine
CID 63004629
2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 62331138
N-(2,6-dimethylphenyl)-N'-(1-phenylethyl)ethane-1,2-diamine
CID 54807002
2,3-dimethyl-N-(3-methylbutyl)aniline
CID 29053614
sodium 5-(2,6-dimethylanilino)pentanoate
CID 21362135
4-bromo-3-methyl-N-(4-methylpentyl)aniline
CID 83155859

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(4-methylpentyl)aniline?
The IUPAC name of 2,6-dimethyl-N-(4-methylpentyl)aniline (CID 83156860) is 2,6-dimethyl-N-(4-methylpentyl)aniline.
What is the SMILES notation for 2,6-dimethyl-N-(4-methylpentyl)aniline?
The canonical SMILES for 2,6-dimethyl-N-(4-methylpentyl)aniline is Cc1cccc(C)c1NCCCC(C)C.
What is the InChIKey of 2,6-dimethyl-N-(4-methylpentyl)aniline?
The InChIKey is LTANGNBWOZBMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-11(2)7-6-10-15-14-12(3)8-5-9-13(14)4/h5,8-9,11,15H,6-7,10H2,1-4H3.
What are the key properties of 2,6-dimethyl-N-(4-methylpentyl)aniline?
2,6-dimethyl-N-(4-methylpentyl)aniline has a molecular weight of 205.34 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(4-methylpentyl)aniline is sourced from PubChem (CID 83156860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).