N-[(2-ethyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine

C13H21NS — CID 62708367

IUPACN-[(2-ethyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine
SMILESCCCNCC1CC1(CC)c1cccs1
InChIInChI=1S/C13H21NS/c1-3-7-14-10-11-9-13(11,4-2)12-6-5-8-15-12/h5-6,8,11,14H,3-4,7,9-10H2,1-2H3
InChIKeyWQZJTMMLXUCZCV-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.42
Rot. Bonds6

About N-[(2-ethyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine

N-[(2-ethyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine (PubChem CID 62708367) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is N-[(2-ethyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine
PubChem CID62708367
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC NameN-[(2-ethyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine
SMILESCCCNCC1CC1(CC)c1cccs1
InChIInChI=1S/C13H21NS/c1-3-7-14-10-11-9-13(11,4-2)12-6-5-8-15-12/h5-6,8,11,14H,3-4,7,9-10H2,1-2H3
InChIKeyWQZJTMMLXUCZCV-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2-ethyl-2-thiophen-2-ylcyclopropyl)methyl]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

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-ethyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine (CID 62708367) is N-[(2-ethyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-ethyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-ethyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine is CCCNCC1CC1(CC)c1cccs1.
What is the InChIKey of N-[(2-ethyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine?
The InChIKey is WQZJTMMLXUCZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-3-7-14-10-11-9-13(11,4-2)12-6-5-8-15-12/h5-6,8,11,14H,3-4,7,9-10H2,1-2H3.
What are the key properties of N-[(2-ethyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine?
N-[(2-ethyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine has a molecular weight of 223.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-2-thiophen-2-ylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 62708367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).