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

C15H20N2S — CID 10306

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IUPACN,N-dimethyl-N'-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(Cc1cccs1)c1ccccc1
InChIInChI=1S/C15H20N2S/c1-16(2)10-11-17(13-15-9-6-12-18-15)14-7-4-3-5-8-14/h3-9,12H,10-11,13H2,1-2H3
InChIKeyLDYJXVUOVPVZKA-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.32
Rot. Bonds6

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

N,N-dimethyl-N'-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 10306) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N,N-dimethyl-N'-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID10306
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN,N-dimethyl-N'-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCN(C)CCN(Cc1cccs1)c1ccccc1
InChIInChI=1S/C15H20N2S/c1-16(2)10-11-17(13-15-9-6-12-18-15)14-7-4-3-5-8-14/h3-9,12H,10-11,13H2,1-2H3
InChIKeyLDYJXVUOVPVZKA-UHFFFAOYSA-N
XLogP3.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 10306) is N,N-dimethyl-N'-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is CN(C)CCN(Cc1cccs1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-N'-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is LDYJXVUOVPVZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-16(2)10-11-17(13-15-9-6-12-18-15)14-7-4-3-5-8-14/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of N,N-dimethyl-N'-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N,N-dimethyl-N'-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 260.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 10306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).