2-N-ethyl-3-methoxy-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine

C12H22N2OS — CID 103226198

IUPAC2-N-ethyl-3-methoxy-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCCN(Cc1cccs1)C(CNC)COC
InChIInChI=1S/C12H22N2OS/c1-4-14(9-12-6-5-7-16-12)11(8-13-2)10-15-3/h5-7,11,13H,4,8-10H2,1-3H3
InChIKeyKIJIVCWFOJGSQU-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.80
Rot. Bonds8

About 2-N-ethyl-3-methoxy-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine

2-N-ethyl-3-methoxy-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine (PubChem CID 103226198) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-N-ethyl-3-methoxy-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-3-methoxy-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
PubChem CID103226198
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2-N-ethyl-3-methoxy-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
SMILESCCN(Cc1cccs1)C(CNC)COC
InChIInChI=1S/C12H22N2OS/c1-4-14(9-12-6-5-7-16-12)11(8-13-2)10-15-3/h5-7,11,13H,4,8-10H2,1-3H3
InChIKeyKIJIVCWFOJGSQU-UHFFFAOYSA-N
XLogP1.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-ethyl-3-methoxy-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-ethyl-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62463283
3-methoxy-2-N-propan-2-yl-1-N-propyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 103226159
1-N-methyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62462705
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62555499
1-N,2-N-diethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62463458
2-N-ethyl-3-phenyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61436906
2-N-ethyl-1-N-pentan-3-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62568180
N'-ethyl-N-(1-methoxypropan-2-yl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62558030
1-N-tert-butyl-2-N-cyclopropyl-3-methoxy-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 103225052
N-ethyl-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 79201660
1-ethyl-2-methyl-1-(thiophen-2-ylmethyl)hydrazine
CID 144592407
methyl 2-[ethyl(thiophen-2-ylmethyl)amino]hexanoate
CID 112547960

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3-methoxy-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-3-methoxy-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine (CID 103226198) is 2-N-ethyl-3-methoxy-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-3-methoxy-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-3-methoxy-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine is CCN(Cc1cccs1)C(CNC)COC.
What is the InChIKey of 2-N-ethyl-3-methoxy-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
The InChIKey is KIJIVCWFOJGSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-4-14(9-12-6-5-7-16-12)11(8-13-2)10-15-3/h5-7,11,13H,4,8-10H2,1-3H3.
What are the key properties of 2-N-ethyl-3-methoxy-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine?
2-N-ethyl-3-methoxy-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine has a molecular weight of 242.39 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3-methoxy-1-N-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 103226198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).