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

C11H20N2S — CID 10512741

IUPACN,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCCNCCN(CC)Cc1cccs1
InChIInChI=1S/C11H20N2S/c1-3-12-7-8-13(4-2)10-11-6-5-9-14-11/h5-6,9,12H,3-4,7-8,10H2,1-2H3
InChIKeyVCIVWVHHCAQTAY-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.18
Rot. Bonds7

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

N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 10512741) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID10512741
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCCNCCN(CC)Cc1cccs1
InChIInChI=1S/C11H20N2S/c1-3-12-7-8-13(4-2)10-11-6-5-9-14-11/h5-6,9,12H,3-4,7-8,10H2,1-2H3
InChIKeyVCIVWVHHCAQTAY-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.18
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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Related Compounds

N-(2-ethoxyethyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62556643
N'-ethyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55089552
N-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347484
N-(3-ethoxypropyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557518
N-(cyclopentylmethyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62556471
N-(4-ethoxybutyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55088870
N-(2-butoxyethyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557344
N'-ethyl-N-(1-methoxypropan-2-yl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62558030
4-[ethyl(thiophen-2-ylmethyl)amino]butan-1-ol
CID 61437450
N'-ethyl-N-(2-methylcyclohexyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557859
N'-(2-ethoxyethyl)-N'-ethyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 55226541
N-ethyl-2-(ethylamino)-N-(thiophen-2-ylmethyl)ethanesulfonamide
CID 54972047

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 10512741) is N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is CCNCCN(CC)Cc1cccs1.
What is the InChIKey of N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is VCIVWVHHCAQTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-3-12-7-8-13(4-2)10-11-6-5-9-14-11/h5-6,9,12H,3-4,7-8,10H2,1-2H3.
What are the key properties of N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 212.36 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 10512741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).