2-[(3-methoxypropylamino)methyl]thiophen-3-amine

C9H16N2OS — CID 66387115

IUPAC2-[(3-methoxypropylamino)methyl]thiophen-3-amine
SMILESCOCCCNCc1sccc1N
InChIInChI=1S/C9H16N2OS/c1-12-5-2-4-11-7-9-8(10)3-6-13-9/h3,6,11H,2,4-5,7,10H2,1H3
InChIKeyVDPYMWWEKSXAEC-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.46
Rot. Bonds6

About 2-[(3-methoxypropylamino)methyl]thiophen-3-amine

2-[(3-methoxypropylamino)methyl]thiophen-3-amine (PubChem CID 66387115) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-[(3-methoxypropylamino)methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[(3-methoxypropylamino)methyl]thiophen-3-amine
PubChem CID66387115
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name2-[(3-methoxypropylamino)methyl]thiophen-3-amine
SMILESCOCCCNCc1sccc1N
InChIInChI=1S/C9H16N2OS/c1-12-5-2-4-11-7-9-8(10)3-6-13-9/h3,6,11H,2,4-5,7,10H2,1H3
InChIKeyVDPYMWWEKSXAEC-UHFFFAOYSA-N
XLogP1.46
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(3-methoxypropylamino)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-methoxypropylamino)methyl]thiophen-3-amine?
The IUPAC name of 2-[(3-methoxypropylamino)methyl]thiophen-3-amine (CID 66387115) is 2-[(3-methoxypropylamino)methyl]thiophen-3-amine.
What is the SMILES notation for 2-[(3-methoxypropylamino)methyl]thiophen-3-amine?
The canonical SMILES for 2-[(3-methoxypropylamino)methyl]thiophen-3-amine is COCCCNCc1sccc1N.
What is the InChIKey of 2-[(3-methoxypropylamino)methyl]thiophen-3-amine?
The InChIKey is VDPYMWWEKSXAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-12-5-2-4-11-7-9-8(10)3-6-13-9/h3,6,11H,2,4-5,7,10H2,1H3.
What are the key properties of 2-[(3-methoxypropylamino)methyl]thiophen-3-amine?
2-[(3-methoxypropylamino)methyl]thiophen-3-amine has a molecular weight of 200.31 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxypropylamino)methyl]thiophen-3-amine is sourced from PubChem (CID 66387115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).