N-ethyl-2-methoxy-1-thiophen-3-ylpentan-1-amine

C12H21NOS — CID 116719131

IUPACN-ethyl-2-methoxy-1-thiophen-3-ylpentan-1-amine
SMILESCCCC(OC)C(NCC)c1ccsc1
InChIInChI=1S/C12H21NOS/c1-4-6-11(14-3)12(13-5-2)10-7-8-15-9-10/h7-9,11-13H,4-6H2,1-3H3
InChIKeyNPWDXQNNNCKYPH-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.21
Rot. Bonds7

About N-ethyl-2-methoxy-1-thiophen-3-ylpentan-1-amine

N-ethyl-2-methoxy-1-thiophen-3-ylpentan-1-amine (PubChem CID 116719131) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is N-ethyl-2-methoxy-1-thiophen-3-ylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-1-thiophen-3-ylpentan-1-amine
PubChem CID116719131
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC NameN-ethyl-2-methoxy-1-thiophen-3-ylpentan-1-amine
SMILESCCCC(OC)C(NCC)c1ccsc1
InChIInChI=1S/C12H21NOS/c1-4-6-11(14-3)12(13-5-2)10-7-8-15-9-10/h7-9,11-13H,4-6H2,1-3H3
InChIKeyNPWDXQNNNCKYPH-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-methoxy-1-thiophen-3-ylpentan-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-methoxy-1-thiophen-3-ylpentan-1-ol
CID 116711807
2-cyclopropyl-N-ethyl-2-methoxy-1-thiophen-3-ylethanamine
CID 116722511
N-ethyl-2-methoxy-1-(3-methylthiophen-2-yl)pentan-1-amine
CID 116719262
N-ethyl-3-propoxy-1-thiophen-3-ylpropan-1-amine
CID 105153974
2-methyl-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 60819374
2-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 116719339
ethyl 2-(ethylamino)-2-thiophen-3-ylacetate
CID 60785866
N-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489158
2-methoxy-1-(4-methoxyphenyl)-N-propylpentan-1-amine
CID 116719309
3-(1-bromobutyl)thiophene
CID 174787739
2-methoxy-N-methyl-1-(2-methylthiophen-3-yl)pentan-1-amine
CID 102833855
N-ethyl-2-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine
CID 116719019

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-1-thiophen-3-ylpentan-1-amine?
The IUPAC name of N-ethyl-2-methoxy-1-thiophen-3-ylpentan-1-amine (CID 116719131) is N-ethyl-2-methoxy-1-thiophen-3-ylpentan-1-amine.
What is the SMILES notation for N-ethyl-2-methoxy-1-thiophen-3-ylpentan-1-amine?
The canonical SMILES for N-ethyl-2-methoxy-1-thiophen-3-ylpentan-1-amine is CCCC(OC)C(NCC)c1ccsc1.
What is the InChIKey of N-ethyl-2-methoxy-1-thiophen-3-ylpentan-1-amine?
The InChIKey is NPWDXQNNNCKYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-4-6-11(14-3)12(13-5-2)10-7-8-15-9-10/h7-9,11-13H,4-6H2,1-3H3.
What are the key properties of N-ethyl-2-methoxy-1-thiophen-3-ylpentan-1-amine?
N-ethyl-2-methoxy-1-thiophen-3-ylpentan-1-amine has a molecular weight of 227.37 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-1-thiophen-3-ylpentan-1-amine is sourced from PubChem (CID 116719131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).