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

C13H24N2OS — CID 103225664

IUPAC3-methoxy-2-N-methyl-1-N-propyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
SMILESCCCNCC(COC)N(C)Cc1ccsc1
InChIInChI=1S/C13H24N2OS/c1-4-6-14-8-13(10-16-3)15(2)9-12-5-7-17-11-12/h5,7,11,13-14H,4,6,8-10H2,1-3H3
InChIKeyIICPVAZVEWMIFZ-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.19
Rot. Bonds9

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

3-methoxy-2-N-methyl-1-N-propyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine (PubChem CID 103225664) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 3-methoxy-2-N-methyl-1-N-propyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-N-methyl-1-N-propyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
PubChem CID103225664
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name3-methoxy-2-N-methyl-1-N-propyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
SMILESCCCNCC(COC)N(C)Cc1ccsc1
InChIInChI=1S/C13H24N2OS/c1-4-6-14-8-13(10-16-3)15(2)9-12-5-7-17-11-12/h5,7,11,13-14H,4,6,8-10H2,1-3H3
InChIKeyIICPVAZVEWMIFZ-UHFFFAOYSA-N
XLogP2.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methoxy-2-N-methyl-1-N-propyl-2-N-(thiophen-3-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

3-methoxy-2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226082
2-N-[(2-bromophenyl)methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226067
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine
CID 62412977
3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226294
2-N-[(4-bromophenyl)methyl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225090
2-N-[(4-chlorophenyl)methyl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225027
N'-methyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61386692
3-methoxy-2-N-propan-2-yl-1-N-propyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 103226159
N-ethyl-1-methoxy-3-thiophen-3-ylpropan-2-amine
CID 62604477
2-N-[(3-bromophenyl)methyl]-2-N-methyl-1-N-propylbutane-1,2-diamine
CID 62461288
1-N,3-N-dimethyl-3-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 62421195
4,4-dimethoxy-2-N-methyl-2-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 66269559

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-N-methyl-1-N-propyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine?
The IUPAC name of 3-methoxy-2-N-methyl-1-N-propyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine (CID 103225664) is 3-methoxy-2-N-methyl-1-N-propyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-N-methyl-1-N-propyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 3-methoxy-2-N-methyl-1-N-propyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine is CCCNCC(COC)N(C)Cc1ccsc1.
What is the InChIKey of 3-methoxy-2-N-methyl-1-N-propyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine?
The InChIKey is IICPVAZVEWMIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-4-6-14-8-13(10-16-3)15(2)9-12-5-7-17-11-12/h5,7,11,13-14H,4,6,8-10H2,1-3H3.
What are the key properties of 3-methoxy-2-N-methyl-1-N-propyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine?
3-methoxy-2-N-methyl-1-N-propyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine has a molecular weight of 256.41 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-N-methyl-1-N-propyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 103225664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).