N-tert-butyl-2-methyl-2-(2-thiophen-2-ylethyl)but-3-en-1-amine

C15H25NS — CID 102641301

IUPACN-tert-butyl-2-methyl-2-(2-thiophen-2-ylethyl)but-3-en-1-amine
SMILESC=CC(C)(CCc1cccs1)CNC(C)(C)C
InChIInChI=1S/C15H25NS/c1-6-15(5,12-16-14(2,3)4)10-9-13-8-7-11-17-13/h6-8,11,16H,1,9-10,12H2,2-5H3
InChIKeyVOLYQVMXXQPLDD-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.26
Rot. Bonds6

About N-tert-butyl-2-methyl-2-(2-thiophen-2-ylethyl)but-3-en-1-amine

N-tert-butyl-2-methyl-2-(2-thiophen-2-ylethyl)but-3-en-1-amine (PubChem CID 102641301) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-2-(2-thiophen-2-ylethyl)but-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-2-(2-thiophen-2-ylethyl)but-3-en-1-amine
PubChem CID102641301
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-tert-butyl-2-methyl-2-(2-thiophen-2-ylethyl)but-3-en-1-amine
SMILESC=CC(C)(CCc1cccs1)CNC(C)(C)C
InChIInChI=1S/C15H25NS/c1-6-15(5,12-16-14(2,3)4)10-9-13-8-7-11-17-13/h6-8,11,16H,1,9-10,12H2,2-5H3
InChIKeyVOLYQVMXXQPLDD-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2,2-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 63774462
2-methyl-N-(2-methylpropyl)-2-(thiophen-2-ylmethyl)but-3-en-1-amine
CID 102641460
N'-tert-butyl-N-(4-thiophen-2-ylbutyl)propane-1,3-diamine
CID 113410415
2,2-diethyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 63773575
2-(3,3-dimethylheptyl)thiophene
CID 57210788
2-cyclopropyl-2-methyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 83159233
2-methyl-N-[2-[1-(2-thiophen-2-ylethyl)cyclopentyl]ethyl]propan-2-amine
CID 65304602
3-methyl-1-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 115200758
N-tert-butyl-N'-methyl-2-methylidene-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 103069350
1-[2-(tert-butylamino)ethyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111766480
2,2-dimethyl-4-(2-thiophen-2-ylethylamino)butanenitrile
CID 65248968
methyl 3,3-dimethyl-5-thiophen-2-ylpentanoate
CID 14256071

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-2-(2-thiophen-2-ylethyl)but-3-en-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-2-(2-thiophen-2-ylethyl)but-3-en-1-amine (CID 102641301) is N-tert-butyl-2-methyl-2-(2-thiophen-2-ylethyl)but-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-2-(2-thiophen-2-ylethyl)but-3-en-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-2-(2-thiophen-2-ylethyl)but-3-en-1-amine is C=CC(C)(CCc1cccs1)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-2-(2-thiophen-2-ylethyl)but-3-en-1-amine?
The InChIKey is VOLYQVMXXQPLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-6-15(5,12-16-14(2,3)4)10-9-13-8-7-11-17-13/h6-8,11,16H,1,9-10,12H2,2-5H3.
What are the key properties of N-tert-butyl-2-methyl-2-(2-thiophen-2-ylethyl)but-3-en-1-amine?
N-tert-butyl-2-methyl-2-(2-thiophen-2-ylethyl)but-3-en-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-2-(2-thiophen-2-ylethyl)but-3-en-1-amine is sourced from PubChem (CID 102641301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).