N-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine

C14H25NOS — CID 54956098

IUPACN-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(C)CCOCCNC(C)Cc1ccsc1
InChIInChI=1S/C14H25NOS/c1-12(2)4-7-16-8-6-15-13(3)10-14-5-9-17-11-14/h5,9,11-13,15H,4,6-8,10H2,1-3H3
InChIKeyMDIYHSUPKFHUIS-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.33
Rot. Bonds9

About N-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine

N-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine (PubChem CID 54956098) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is N-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine
PubChem CID54956098
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC NameN-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(C)CCOCCNC(C)Cc1ccsc1
InChIInChI=1S/C14H25NOS/c1-12(2)4-7-16-8-6-15-13(3)10-14-5-9-17-11-14/h5,9,11-13,15H,4,6-8,10H2,1-3H3
InChIKeyMDIYHSUPKFHUIS-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-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

1-thiophen-3-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine
CID 54961663
N-(2-fluoroethyl)-1-thiophen-3-ylpropan-2-amine
CID 80694035
3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine
CID 114472154
N'-methyl-N'-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)ethane-1,2-diamine
CID 115715971
6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol
CID 115906776
N-[2-(4-methylpentoxy)ethyl]-2-thiophen-3-ylethanamine
CID 62598298
(E)-N-(1-thiophen-3-ylpropan-2-yl)but-2-en-1-amine
CID 107898855
N-[2-(1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 115731927
N-[(3,4-dimethylphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61223934
N-[2-(cyclopenten-1-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 115895883
methyl 4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]benzoate
CID 61473251
1-bromo-N-[2-(3-methylbutoxy)ethyl]propan-2-amine
CID 107859702

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine (CID 54956098) is N-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine is CC(C)CCOCCNC(C)Cc1ccsc1.
What is the InChIKey of N-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine?
The InChIKey is MDIYHSUPKFHUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-12(2)4-7-16-8-6-15-13(3)10-14-5-9-17-11-14/h5,9,11-13,15H,4,6-8,10H2,1-3H3.
What are the key properties of N-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine?
N-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine has a molecular weight of 255.43 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 54956098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).