N-(3,3-dimethylbutyl)-2,4,6-trimethylaniline

C15H25N — CID 63448276

IUPACN-(3,3-dimethylbutyl)-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NCCC(C)(C)C)c(C)c1
InChIInChI=1S/C15H25N/c1-11-9-12(2)14(13(3)10-11)16-8-7-15(4,5)6/h9-10,16H,7-8H2,1-6H3
InChIKeyFSRSJSFZAAYXIP-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.46
Rot. Bonds3

About N-(3,3-dimethylbutyl)-2,4,6-trimethylaniline

N-(3,3-dimethylbutyl)-2,4,6-trimethylaniline (PubChem CID 63448276) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2,4,6-trimethylaniline
PubChem CID63448276
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-(3,3-dimethylbutyl)-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NCCC(C)(C)C)c(C)c1
InChIInChI=1S/C15H25N/c1-11-9-12(2)14(13(3)10-11)16-8-7-15(4,5)6/h9-10,16H,7-8H2,1-6H3
InChIKeyFSRSJSFZAAYXIP-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-methoxy-3-methylbutyl)-2,4,6-trimethylaniline
CID 102975622
N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 20780242
manganese;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 66808827
2-bromo-N-(3-methoxy-3-methylbutyl)-4,6-dimethylaniline
CID 103033502
gold;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine;dichloride
CID 173020259
N'-methyl-N'-[3-(2,4,6-trimethylanilino)propyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine
CID 18441321
3-(2,4,6-trimethylanilino)propanethioamide
CID 82080350
N-ethyl-2,4,6-trimethylaniline;trichlorocobalt
CID 175492327
N-[2-(2,4-dimethylphenoxy)ethyl]-2,4,6-trimethylaniline
CID 54796641
2,5-dichloro-N-(3,3-dimethylbutyl)-4-methylaniline
CID 104726565
5-chloro-N-(3,3-dimethylbutyl)-2-methylaniline
CID 63420169
N-(3,3-dimethylbutyl)-4-methyl-3-(trifluoromethyl)aniline
CID 63455402

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2,4,6-trimethylaniline?
The IUPAC name of N-(3,3-dimethylbutyl)-2,4,6-trimethylaniline (CID 63448276) is N-(3,3-dimethylbutyl)-2,4,6-trimethylaniline.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2,4,6-trimethylaniline?
The canonical SMILES for N-(3,3-dimethylbutyl)-2,4,6-trimethylaniline is Cc1cc(C)c(NCCC(C)(C)C)c(C)c1.
What is the InChIKey of N-(3,3-dimethylbutyl)-2,4,6-trimethylaniline?
The InChIKey is FSRSJSFZAAYXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-11-9-12(2)14(13(3)10-11)16-8-7-15(4,5)6/h9-10,16H,7-8H2,1-6H3.
What are the key properties of N-(3,3-dimethylbutyl)-2,4,6-trimethylaniline?
N-(3,3-dimethylbutyl)-2,4,6-trimethylaniline has a molecular weight of 219.37 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2,4,6-trimethylaniline is sourced from PubChem (CID 63448276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).