1-N-(2-methoxyethyl)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine

C12H22N2O2S — CID 113407643

IUPAC1-N-(2-methoxyethyl)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine
SMILESCOCCNCC(C)NCc1sccc1OC
InChIInChI=1S/C12H22N2O2S/c1-10(8-13-5-6-15-2)14-9-12-11(16-3)4-7-17-12/h4,7,10,13-14H,5-6,8-9H2,1-3H3
InChIKeyWZGGRILFVQUQTB-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.47
Rot. Bonds9

About 1-N-(2-methoxyethyl)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine

1-N-(2-methoxyethyl)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine (PubChem CID 113407643) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine
PubChem CID113407643
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name1-N-(2-methoxyethyl)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine
SMILESCOCCNCC(C)NCc1sccc1OC
InChIInChI=1S/C12H22N2O2S/c1-10(8-13-5-6-15-2)14-9-12-11(16-3)4-7-17-12/h4,7,10,13-14H,5-6,8-9H2,1-3H3
InChIKeyWZGGRILFVQUQTB-UHFFFAOYSA-N
XLogP1.47
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 43811050
3-(Trifluoromethyl)-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine
CID 156238504
2,2,2-trifluoro-N-[(3-methoxythiophen-2-yl)methyl]ethanamine
CID 63333195
2,2-difluoro-N-[(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115406990
1,1,1-Trifluoro-3-[(3-methoxythiophen-2-yl)methylamino]propan-2-ol
CID 115710569
3,3,3-trifluoro-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 115711046
3-fluoro-N-[(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 115732963
N-[(3-methoxythiophen-2-yl)methyl]acetamide
CID 53877247
N-[(3-methoxythiophen-2-yl)methyl]ethanamine
CID 63333048
3-ethyl-N-[(3-methoxythiophen-2-yl)methyl]hex-5-en-1-amine
CID 134232693
5-Methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine
CID 139776051
2-N-[3-[5-[(dimethylamino)methyl]thiophen-3-yl]oxypropyl]cyclobut-3-ene-1,2-diamine
CID 145804230

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine?
The IUPAC name of 1-N-(2-methoxyethyl)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine (CID 113407643) is 1-N-(2-methoxyethyl)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methoxyethyl)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-N-(2-methoxyethyl)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine is COCCNCC(C)NCc1sccc1OC.
What is the InChIKey of 1-N-(2-methoxyethyl)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine?
The InChIKey is WZGGRILFVQUQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-10(8-13-5-6-15-2)14-9-12-11(16-3)4-7-17-12/h4,7,10,13-14H,5-6,8-9H2,1-3H3.
What are the key properties of 1-N-(2-methoxyethyl)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine?
1-N-(2-methoxyethyl)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine has a molecular weight of 258.39 g/mol, XLogP of 1.47, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethyl)-2-N-[(3-methoxythiophen-2-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 113407643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).