3-(2-thiophen-2-ylethoxymethyl)pentan-3-amine

C12H21NOS — CID 64571440

IUPAC3-(2-thiophen-2-ylethoxymethyl)pentan-3-amine
SMILESCCC(N)(CC)COCCc1cccs1
InChIInChI=1S/C12H21NOS/c1-3-12(13,4-2)10-14-8-7-11-6-5-9-15-11/h5-6,9H,3-4,7-8,10,13H2,1-2H3
InChIKeyUGMAVKYMECNORJ-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.82
Rot. Bonds7

About 3-(2-thiophen-2-ylethoxymethyl)pentan-3-amine

3-(2-thiophen-2-ylethoxymethyl)pentan-3-amine (PubChem CID 64571440) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 3-(2-thiophen-2-ylethoxymethyl)pentan-3-amine.

Molecular Properties

Compound Name3-(2-thiophen-2-ylethoxymethyl)pentan-3-amine
PubChem CID64571440
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name3-(2-thiophen-2-ylethoxymethyl)pentan-3-amine
SMILESCCC(N)(CC)COCCc1cccs1
InChIInChI=1S/C12H21NOS/c1-3-12(13,4-2)10-14-8-7-11-6-5-9-15-11/h5-6,9H,3-4,7-8,10,13H2,1-2H3
InChIKeyUGMAVKYMECNORJ-UHFFFAOYSA-N
XLogP2.82
TPSA35.25 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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(thiophen-2-ylmethoxymethyl)pentan-3-amine
CID 64571428
2,2-dimethyl-3-(2-thiophen-2-ylethoxy)propane-1-sulfonamide
CID 64999084
N-ethyl-3-(2-thiophen-2-ylethoxy)propan-1-amine
CID 62485827
2-(5-pentoxypentyl)thiophene
CID 91586139
N'-hydroxy-3-(2-thiophen-2-ylethoxy)propanimidamide
CID 109374870
2-[2-[2-(4-bromophenoxy)ethoxy]ethyl]thiophene
CID 54970997
1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79814982
2-thiophen-2-ylethoxysilane
CID 154346669
2-butylthiophene;methanamine
CID 143080300
N-[2-(2-propoxyethoxy)ethyl]-2-thiophen-2-ylethanamine
CID 63685883
2-(2-thiophen-2-ylethoxy)acetohydrazide
CID 63571119
N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]ethanamine
CID 106908279

Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-2-ylethoxymethyl)pentan-3-amine?
The IUPAC name of 3-(2-thiophen-2-ylethoxymethyl)pentan-3-amine (CID 64571440) is 3-(2-thiophen-2-ylethoxymethyl)pentan-3-amine.
What is the SMILES notation for 3-(2-thiophen-2-ylethoxymethyl)pentan-3-amine?
The canonical SMILES for 3-(2-thiophen-2-ylethoxymethyl)pentan-3-amine is CCC(N)(CC)COCCc1cccs1.
What is the InChIKey of 3-(2-thiophen-2-ylethoxymethyl)pentan-3-amine?
The InChIKey is UGMAVKYMECNORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-3-12(13,4-2)10-14-8-7-11-6-5-9-15-11/h5-6,9H,3-4,7-8,10,13H2,1-2H3.
What are the key properties of 3-(2-thiophen-2-ylethoxymethyl)pentan-3-amine?
3-(2-thiophen-2-ylethoxymethyl)pentan-3-amine has a molecular weight of 227.37 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-2-ylethoxymethyl)pentan-3-amine is sourced from PubChem (CID 64571440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).