1-N,1-N-bis(2-methoxyethyl)-1-thiophen-2-ylpropane-1,2-diamine

C13H24N2O2S — CID 55021667

IUPAC1-N,1-N-bis(2-methoxyethyl)-1-thiophen-2-ylpropane-1,2-diamine
SMILESCOCCN(CCOC)C(c1cccs1)C(C)N
InChIInChI=1S/C13H24N2O2S/c1-11(14)13(12-5-4-10-18-12)15(6-8-16-2)7-9-17-3/h4-5,10-11,13H,6-9,14H2,1-3H3
InChIKeyZMNXQEYZHVPUBW-UHFFFAOYSA-N
MW272.41 g/mol
LogP1.73
Rot. Bonds9

About 1-N,1-N-bis(2-methoxyethyl)-1-thiophen-2-ylpropane-1,2-diamine

1-N,1-N-bis(2-methoxyethyl)-1-thiophen-2-ylpropane-1,2-diamine (PubChem CID 55021667) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-N,1-N-bis(2-methoxyethyl)-1-thiophen-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-bis(2-methoxyethyl)-1-thiophen-2-ylpropane-1,2-diamine
PubChem CID55021667
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name1-N,1-N-bis(2-methoxyethyl)-1-thiophen-2-ylpropane-1,2-diamine
SMILESCOCCN(CCOC)C(c1cccs1)C(C)N
InChIInChI=1S/C13H24N2O2S/c1-11(14)13(12-5-4-10-18-12)15(6-8-16-2)7-9-17-3/h4-5,10-11,13H,6-9,14H2,1-3H3
InChIKeyZMNXQEYZHVPUBW-UHFFFAOYSA-N
XLogP1.73
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methoxyethyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid
CID 65067405
1-N-propyl-1-thiophen-2-yl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 55021776
1-N-(cyclopropylmethyl)-1-N-propyl-1-thiophen-2-ylpropane-1,2-diamine
CID 55021714
2-methoxy-1-thiophen-2-ylethanamine
CID 58736274
N'-(2-methoxyethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 115287823
4-methoxy-1-N-methyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine
CID 62478000
2-[[2-amino-1-(furan-2-yl)propyl]-(2-methoxyethyl)amino]ethanol
CID 113467681
1-N-(3,3-dimethylbutan-2-yl)-1-N-methyl-1-thiophen-2-ylpropane-1,2-diamine
CID 55021630
2-[(2-amino-1-thiophen-2-ylbutyl)-butylamino]ethanol
CID 55022203
1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-thiophen-2-ylbutane-1,2-diamine
CID 81058853
N-(dithiophen-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843433
2-amino-N-benzyl-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide
CID 115286511

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-bis(2-methoxyethyl)-1-thiophen-2-ylpropane-1,2-diamine?
The IUPAC name of 1-N,1-N-bis(2-methoxyethyl)-1-thiophen-2-ylpropane-1,2-diamine (CID 55021667) is 1-N,1-N-bis(2-methoxyethyl)-1-thiophen-2-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-bis(2-methoxyethyl)-1-thiophen-2-ylpropane-1,2-diamine?
The canonical SMILES for 1-N,1-N-bis(2-methoxyethyl)-1-thiophen-2-ylpropane-1,2-diamine is COCCN(CCOC)C(c1cccs1)C(C)N.
What is the InChIKey of 1-N,1-N-bis(2-methoxyethyl)-1-thiophen-2-ylpropane-1,2-diamine?
The InChIKey is ZMNXQEYZHVPUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-11(14)13(12-5-4-10-18-12)15(6-8-16-2)7-9-17-3/h4-5,10-11,13H,6-9,14H2,1-3H3.
What are the key properties of 1-N,1-N-bis(2-methoxyethyl)-1-thiophen-2-ylpropane-1,2-diamine?
1-N,1-N-bis(2-methoxyethyl)-1-thiophen-2-ylpropane-1,2-diamine has a molecular weight of 272.41 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-bis(2-methoxyethyl)-1-thiophen-2-ylpropane-1,2-diamine is sourced from PubChem (CID 55021667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).