N',N'-dimethyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine

C9H16N2S — CID 4723866

IUPACN',N'-dimethyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCNCc1ccsc1
InChIInChI=1S/C9H16N2S/c1-11(2)5-4-10-7-9-3-6-12-8-9/h3,6,8,10H,4-5,7H2,1-2H3
InChIKeyAQFCIMZHLZBDBG-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.40
Rot. Bonds5

About N',N'-dimethyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine

N',N'-dimethyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine (PubChem CID 4723866) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is N',N'-dimethyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
PubChem CID4723866
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC NameN',N'-dimethyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCNCc1ccsc1
InChIInChI=1S/C9H16N2S/c1-11(2)5-4-10-7-9-3-6-12-8-9/h3,6,8,10H,4-5,7H2,1-2H3
InChIKeyAQFCIMZHLZBDBG-UHFFFAOYSA-N
XLogP1.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine (CID 4723866) is N',N'-dimethyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine is CN(C)CCNCc1ccsc1.
What is the InChIKey of N',N'-dimethyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is AQFCIMZHLZBDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-11(2)5-4-10-7-9-3-6-12-8-9/h3,6,8,10H,4-5,7H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine?
N',N'-dimethyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 184.31 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(thiophen-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 4723866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).