N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine

C17H29N — CID 43491139

IUPACN-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine
SMILESCCNC(CC(C)(C)C)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H29N/c1-8-18-15(11-17(5,6)7)16-13(3)9-12(2)10-14(16)4/h9-10,15,18H,8,11H2,1-7H3
InChIKeyYSXDONXJARJGGH-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.70
Rot. Bonds4

About N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine

N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine (PubChem CID 43491139) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine
PubChem CID43491139
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine
SMILESCCNC(CC(C)(C)C)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H29N/c1-8-18-15(11-17(5,6)7)16-13(3)9-12(2)10-14(16)4/h9-10,15,18H,8,11H2,1-7H3
InChIKeyYSXDONXJARJGGH-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 106881531
1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 106881532
N-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 43491113
1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43487984
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine
CID 106881356
N-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 83057067
3-cyclopentyl-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
CID 106883936
2-tert-butylsulfanyl-N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680622
2-cyclobutyloxy-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 62116834
3-[2-(ethylamino)-2-(2,4,6-trimethylphenyl)ethyl]sulfanylbutan-2-ol
CID 107772462
2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 103162901
N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 63475624

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine?
The IUPAC name of N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine (CID 43491139) is N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine?
The canonical SMILES for N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine is CCNC(CC(C)(C)C)c1c(C)cc(C)cc1C.
What is the InChIKey of N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine?
The InChIKey is YSXDONXJARJGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-8-18-15(11-17(5,6)7)16-13(3)9-12(2)10-14(16)4/h9-10,15,18H,8,11H2,1-7H3.
What are the key properties of N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine?
N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-1-(2,4,6-trimethylphenyl)butan-1-amine is sourced from PubChem (CID 43491139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).