N-tert-butyl-2,2-dimethyl-3-thiophen-3-ylpropan-1-amine

C13H23NS — CID 62724141

IUPACN-tert-butyl-2,2-dimethyl-3-thiophen-3-ylpropan-1-amine
SMILESCC(C)(CNC(C)(C)C)Cc1ccsc1
InChIInChI=1S/C13H23NS/c1-12(2,3)14-10-13(4,5)8-11-6-7-15-9-11/h6-7,9,14H,8,10H2,1-5H3
InChIKeyNVSAEAMUIJZDLA-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.70
Rot. Bonds4

About N-tert-butyl-2,2-dimethyl-3-thiophen-3-ylpropan-1-amine

N-tert-butyl-2,2-dimethyl-3-thiophen-3-ylpropan-1-amine (PubChem CID 62724141) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is N-tert-butyl-2,2-dimethyl-3-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2,2-dimethyl-3-thiophen-3-ylpropan-1-amine
PubChem CID62724141
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC NameN-tert-butyl-2,2-dimethyl-3-thiophen-3-ylpropan-1-amine
SMILESCC(C)(CNC(C)(C)C)Cc1ccsc1
InChIInChI=1S/C13H23NS/c1-12(2,3)14-10-13(4,5)8-11-6-7-15-9-11/h6-7,9,14H,8,10H2,1-5H3
InChIKeyNVSAEAMUIJZDLA-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-2,2-dimethyl-3-thiophen-3-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol
CID 66038642
N-tert-butyl-2-methyl-3-thiophen-3-ylpropan-1-amine
CID 62530694
N-tert-butyl-2,2-diethyl-N'-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62258544
3-[3-bromo-2-(bromomethyl)-2-methylpropyl]thiophene
CID 79453790
2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 112723558
N,2-dimethyl-2-(thiophen-3-ylmethyl)but-3-en-1-amine
CID 102640556
2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-2-ol
CID 66037007
methyl (2R)-2-amino-2-methyl-3-thiophen-3-ylpropanoate
CID 164676208
2-methyl-2-(thiophen-3-ylmethyl)butan-1-amine
CID 62723704
N-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62259598
N-tert-butyl-4-methyl-5-thiophen-3-ylpent-3-en-1-amine
CID 79607891
2,2-dimethyl-3-(2-thiophen-3-ylethylamino)propan-1-ol
CID 81410840

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-dimethyl-3-thiophen-3-ylpropan-1-amine?
The IUPAC name of N-tert-butyl-2,2-dimethyl-3-thiophen-3-ylpropan-1-amine (CID 62724141) is N-tert-butyl-2,2-dimethyl-3-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-2,2-dimethyl-3-thiophen-3-ylpropan-1-amine?
The canonical SMILES for N-tert-butyl-2,2-dimethyl-3-thiophen-3-ylpropan-1-amine is CC(C)(CNC(C)(C)C)Cc1ccsc1.
What is the InChIKey of N-tert-butyl-2,2-dimethyl-3-thiophen-3-ylpropan-1-amine?
The InChIKey is NVSAEAMUIJZDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-12(2,3)14-10-13(4,5)8-11-6-7-15-9-11/h6-7,9,14H,8,10H2,1-5H3.
What are the key properties of N-tert-butyl-2,2-dimethyl-3-thiophen-3-ylpropan-1-amine?
N-tert-butyl-2,2-dimethyl-3-thiophen-3-ylpropan-1-amine has a molecular weight of 225.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-dimethyl-3-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 62724141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).