N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine

C10H18N2OS — CID 62541320

IUPACN-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
SMILESCOCCNC(CN)c1sccc1C
InChIInChI=1S/C10H18N2OS/c1-8-3-6-14-10(8)9(7-11)12-4-5-13-2/h3,6,9,12H,4-5,7,11H2,1-2H3
InChIKeyUQWBCJLKZFWWEZ-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.29
Rot. Bonds6

About N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine

N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine (PubChem CID 62541320) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
PubChem CID62541320
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
SMILESCOCCNC(CN)c1sccc1C
InChIInChI=1S/C10H18N2OS/c1-8-3-6-14-10(8)9(7-11)12-4-5-13-2/h3,6,9,12H,4-5,7,11H2,1-2H3
InChIKeyUQWBCJLKZFWWEZ-UHFFFAOYSA-N
XLogP1.29
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 95310705
3-[[2-amino-1-(3-methylthiophen-2-yl)ethyl]amino]propan-1-ol
CID 65378659
4-methoxy-1-(3-methylthiophen-2-yl)-N-propylbutan-1-amine
CID 79989421
4-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 63992497
4-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 95310819
N-(4-bromophenyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 65385553
5-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]pentan-1-amine
CID 115714840
N-(2-methoxyethyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 62542209
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 4720503
N-(2-methoxyethoxy)-1-(3-methylthiophen-2-yl)ethanamine
CID 82712468
1-(5-ethylthiophen-2-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62540616
N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)-N-pentan-3-ylethane-1,2-diamine
CID 55004064

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine (CID 62541320) is N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine is COCCNC(CN)c1sccc1C.
What is the InChIKey of N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
The InChIKey is UQWBCJLKZFWWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8-3-6-14-10(8)9(7-11)12-4-5-13-2/h3,6,9,12H,4-5,7,11H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine?
N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine has a molecular weight of 214.33 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 62541320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).