N,3-dimethyl-2-(2,3,5,6-tetramethylphenyl)butan-1-amine

C16H27N — CID 82082953

IUPACN,3-dimethyl-2-(2,3,5,6-tetramethylphenyl)butan-1-amine
SMILESCNCC(c1c(C)c(C)cc(C)c1C)C(C)C
InChIInChI=1S/C16H27N/c1-10(2)15(9-17-7)16-13(5)11(3)8-12(4)14(16)6/h8,10,15,17H,9H2,1-7H3
InChIKeyJGAAMRSRNNNLJT-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.88
Rot. Bonds4

About N,3-dimethyl-2-(2,3,5,6-tetramethylphenyl)butan-1-amine

N,3-dimethyl-2-(2,3,5,6-tetramethylphenyl)butan-1-amine (PubChem CID 82082953) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N,3-dimethyl-2-(2,3,5,6-tetramethylphenyl)butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-(2,3,5,6-tetramethylphenyl)butan-1-amine
PubChem CID82082953
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN,3-dimethyl-2-(2,3,5,6-tetramethylphenyl)butan-1-amine
SMILESCNCC(c1c(C)c(C)cc(C)c1C)C(C)C
InChIInChI=1S/C16H27N/c1-10(2)15(9-17-7)16-13(5)11(3)8-12(4)14(16)6/h8,10,15,17H,9H2,1-7H3
InChIKeyJGAAMRSRNNNLJT-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,3-dimethyl-2-(2,4,5-trimethylphenyl)butan-1-amine
CID 116964332
2-(5-bromo-2-methylphenyl)-N,3-dimethylbutan-1-amine
CID 116964369
N,3-dimethyl-2-(3-methylthiophen-2-yl)butan-1-amine
CID 83831443
2,3,5,6-tetramethyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302721
N'-propan-2-yl-1-(2,3,5,6-tetramethylphenyl)ethane-1,2-diamine
CID 116935034
N,3-dimethyl-2-(5-methylthiophen-2-yl)butan-1-amine
CID 83831442
1-(2-methoxy-3,4,6-trimethylphenyl)-N'-methylethane-1,2-diamine
CID 116932540
1-(3-chloro-2-fluoro-5,6-dimethylphenyl)-2-(methylamino)ethanol
CID 117335550
ethane;1,2,5-trimethyl-3,4-di(propan-2-yl)benzene
CID 90692106
N,N'-dimethyl-2-propan-2-yl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 116960352
2-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine
CID 83835356
N,3-dimethyl-2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]butan-1-amine
CID 116896489

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-(2,3,5,6-tetramethylphenyl)butan-1-amine?
The IUPAC name of N,3-dimethyl-2-(2,3,5,6-tetramethylphenyl)butan-1-amine (CID 82082953) is N,3-dimethyl-2-(2,3,5,6-tetramethylphenyl)butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-(2,3,5,6-tetramethylphenyl)butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-(2,3,5,6-tetramethylphenyl)butan-1-amine is CNCC(c1c(C)c(C)cc(C)c1C)C(C)C.
What is the InChIKey of N,3-dimethyl-2-(2,3,5,6-tetramethylphenyl)butan-1-amine?
The InChIKey is JGAAMRSRNNNLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-10(2)15(9-17-7)16-13(5)11(3)8-12(4)14(16)6/h8,10,15,17H,9H2,1-7H3.
What are the key properties of N,3-dimethyl-2-(2,3,5,6-tetramethylphenyl)butan-1-amine?
N,3-dimethyl-2-(2,3,5,6-tetramethylphenyl)butan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-(2,3,5,6-tetramethylphenyl)butan-1-amine is sourced from PubChem (CID 82082953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).