N-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine

C14H23NOS — CID 62907430

IUPACN-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)C1CCOCC1
InChIInChI=1S/C14H23NOS/c1-2-6-15-14(10-12-5-9-17-11-12)13-3-7-16-8-4-13/h5,9,11,13-15H,2-4,6-8,10H2,1H3
InChIKeyVYCUNPQPWWTKLP-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.09
Rot. Bonds6

About N-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine

N-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine (PubChem CID 62907430) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine
PubChem CID62907430
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)C1CCOCC1
InChIInChI=1S/C14H23NOS/c1-2-6-15-14(10-12-5-9-17-11-12)13-3-7-16-8-4-13/h5,9,11,13-15H,2-4,6-8,10H2,1H3
InChIKeyVYCUNPQPWWTKLP-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-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

N-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 115998337
N-[2-(4-iodophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 65479183
N-[2-(4-chlorophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 62906214
N-[2-(furan-3-yl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 83175844
N-[1-(2-ethylcyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105151192
1-cyclobutyl-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 64986471
N-[1-(thian-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 80626191
N-[2-(3-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 62907601
N-[2-(4-ethylphenyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330199
[1-(oxolan-3-yl)-2-thiophen-3-ylethyl]hydrazine
CID 105229457
N-[2-(2-bromophenyl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 63936289
1-(4,4-dimethylcyclohexyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 65392242

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine (CID 62907430) is N-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine is CCCNC(Cc1ccsc1)C1CCOCC1.
What is the InChIKey of N-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is VYCUNPQPWWTKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-2-6-15-14(10-12-5-9-17-11-12)13-3-7-16-8-4-13/h5,9,11,13-15H,2-4,6-8,10H2,1H3.
What are the key properties of N-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine?
N-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 62907430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).