2-[[3-(cyclopropylmethoxy)propylamino]methyl]thiophen-3-amine

C12H20N2OS — CID 66384909

IUPAC2-[[3-(cyclopropylmethoxy)propylamino]methyl]thiophen-3-amine
SMILESNc1ccsc1CNCCCOCC1CC1
InChIInChI=1S/C12H20N2OS/c13-11-4-7-16-12(11)8-14-5-1-6-15-9-10-2-3-10/h4,7,10,14H,1-3,5-6,8-9,13H2
InChIKeyANCQVZHKBGVQOX-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.24
Rot. Bonds8

About 2-[[3-(cyclopropylmethoxy)propylamino]methyl]thiophen-3-amine

2-[[3-(cyclopropylmethoxy)propylamino]methyl]thiophen-3-amine (PubChem CID 66384909) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[[3-(cyclopropylmethoxy)propylamino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[3-(cyclopropylmethoxy)propylamino]methyl]thiophen-3-amine
PubChem CID66384909
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[[3-(cyclopropylmethoxy)propylamino]methyl]thiophen-3-amine
SMILESNc1ccsc1CNCCCOCC1CC1
InChIInChI=1S/C12H20N2OS/c13-11-4-7-16-12(11)8-14-5-1-6-15-9-10-2-3-10/h4,7,10,14H,1-3,5-6,8-9,13H2
InChIKeyANCQVZHKBGVQOX-UHFFFAOYSA-N
XLogP2.24
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[3-(cyclopropylmethoxy)propylamino]methyl]thiophen-3-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 2-[[3-(cyclopropylmethoxy)propylamino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[3-(cyclopropylmethoxy)propylamino]methyl]thiophen-3-amine (CID 66384909) is 2-[[3-(cyclopropylmethoxy)propylamino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[3-(cyclopropylmethoxy)propylamino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[3-(cyclopropylmethoxy)propylamino]methyl]thiophen-3-amine is Nc1ccsc1CNCCCOCC1CC1.
What is the InChIKey of 2-[[3-(cyclopropylmethoxy)propylamino]methyl]thiophen-3-amine?
The InChIKey is ANCQVZHKBGVQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c13-11-4-7-16-12(11)8-14-5-1-6-15-9-10-2-3-10/h4,7,10,14H,1-3,5-6,8-9,13H2.
What are the key properties of 2-[[3-(cyclopropylmethoxy)propylamino]methyl]thiophen-3-amine?
2-[[3-(cyclopropylmethoxy)propylamino]methyl]thiophen-3-amine has a molecular weight of 240.37 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclopropylmethoxy)propylamino]methyl]thiophen-3-amine is sourced from PubChem (CID 66384909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).