N-[(5-tert-butylthiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine

C17H31NS — CID 102904213

IUPACN-[(5-tert-butylthiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCc1ccc(C(C)(C)C)s1)C(C)C
InChIInChI=1S/C17H31NS/c1-12(2)15(13(3)4)11-18-10-14-8-9-16(19-14)17(5,6)7/h8-9,12-13,15,18H,10-11H2,1-7H3
InChIKeyCXPJUPYEGKGALK-UHFFFAOYSA-N
MW281.51 g/mol
LogP5.06
Rot. Bonds6

About N-[(5-tert-butylthiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine

N-[(5-tert-butylthiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine (PubChem CID 102904213) has the molecular formula C17H31NS and a molecular weight of 281.51 g/mol. Its IUPAC name is N-[(5-tert-butylthiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-[(5-tert-butylthiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
PubChem CID102904213
Molecular FormulaC17H31NS
Molecular Weight281.51 g/mol
Exact Mass281.22
IUPAC NameN-[(5-tert-butylthiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCc1ccc(C(C)(C)C)s1)C(C)C
InChIInChI=1S/C17H31NS/c1-12(2)15(13(3)4)11-18-10-14-8-9-16(19-14)17(5,6)7/h8-9,12-13,15,18H,10-11H2,1-7H3
InChIKeyCXPJUPYEGKGALK-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.51
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(5-tert-butylthiophen-2-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 81497928
N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904677
N-[(5-tert-butylthiophen-2-yl)methyl]-2-propan-2-ylsulfanylethanamine
CID 123291785
N-[(5-tert-butylthiophen-2-yl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 103529605
2-[5-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]thiophen-2-yl]acetic acid
CID 102903995
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904081
N-[(5-tert-butylthiophen-2-yl)methyl]but-3-en-2-amine
CID 115742295
N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine
CID 81494858
(1S)-N-[(5-tert-butylthiophen-2-yl)methyl]-1-phenylethanamine
CID 81499028
N-[(5-tert-butylthiophen-2-yl)methyl]-2-methylsulfinylethanamine
CID 115742089
2-[(5-tert-butylthiophen-2-yl)methylamino]-N-methylacetamide
CID 81495461
N-[(5-tert-butylthiophen-2-yl)methyl]aniline
CID 58624276

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butylthiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine?
The IUPAC name of N-[(5-tert-butylthiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine (CID 102904213) is N-[(5-tert-butylthiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-[(5-tert-butylthiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine?
The canonical SMILES for N-[(5-tert-butylthiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine is CC(C)C(CNCc1ccc(C(C)(C)C)s1)C(C)C.
What is the InChIKey of N-[(5-tert-butylthiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine?
The InChIKey is CXPJUPYEGKGALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NS/c1-12(2)15(13(3)4)11-18-10-14-8-9-16(19-14)17(5,6)7/h8-9,12-13,15,18H,10-11H2,1-7H3.
What are the key properties of N-[(5-tert-butylthiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine?
N-[(5-tert-butylthiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine has a molecular weight of 281.51 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butylthiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102904213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).