N-cyclopentyloxy-1-thiophen-2-ylpropan-1-amine

C12H19NOS — CID 83228566

IUPACN-cyclopentyloxy-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NOC1CCCC1)c1cccs1
InChIInChI=1S/C12H19NOS/c1-2-11(12-8-5-9-15-12)13-14-10-6-3-4-7-10/h5,8-11,13H,2-4,6-7H2,1H3
InChIKeyKHKPZAJHBFUEDA-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.66
Rot. Bonds5

About N-cyclopentyloxy-1-thiophen-2-ylpropan-1-amine

N-cyclopentyloxy-1-thiophen-2-ylpropan-1-amine (PubChem CID 83228566) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is N-cyclopentyloxy-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-thiophen-2-ylpropan-1-amine
PubChem CID83228566
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC NameN-cyclopentyloxy-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NOC1CCCC1)c1cccs1
InChIInChI=1S/C12H19NOS/c1-2-11(12-8-5-9-15-12)13-14-10-6-3-4-7-10/h5,8-11,13H,2-4,6-7H2,1H3
InChIKeyKHKPZAJHBFUEDA-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-cyclopentyloxy-1-thiophen-2-ylpropan-1-amine (CID 83228566) is N-cyclopentyloxy-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-cyclopentyloxy-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-cyclopentyloxy-1-thiophen-2-ylpropan-1-amine is CCC(NOC1CCCC1)c1cccs1.
What is the InChIKey of N-cyclopentyloxy-1-thiophen-2-ylpropan-1-amine?
The InChIKey is KHKPZAJHBFUEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-2-11(12-8-5-9-15-12)13-14-10-6-3-4-7-10/h5,8-11,13H,2-4,6-7H2,1H3.
What are the key properties of N-cyclopentyloxy-1-thiophen-2-ylpropan-1-amine?
N-cyclopentyloxy-1-thiophen-2-ylpropan-1-amine has a molecular weight of 225.36 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 83228566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).