N,N-diethyl-1-thiophen-3-ylethane-1,2-diamine

C10H18N2S — CID 16785048

IUPACN,N-diethyl-1-thiophen-3-ylethane-1,2-diamine
SMILESCCN(CC)C(CN)c1ccsc1
InChIInChI=1S/C10H18N2S/c1-3-12(4-2)10(7-11)9-5-6-13-8-9/h5-6,8,10H,3-4,7,11H2,1-2H3
InChIKeyLMACEHBBGMXZMU-UHFFFAOYSA-N
MW198.34 g/mol
LogP2.09
Rot. Bonds5

About N,N-diethyl-1-thiophen-3-ylethane-1,2-diamine

N,N-diethyl-1-thiophen-3-ylethane-1,2-diamine (PubChem CID 16785048) has the molecular formula C10H18N2S and a molecular weight of 198.34 g/mol. Its IUPAC name is N,N-diethyl-1-thiophen-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-diethyl-1-thiophen-3-ylethane-1,2-diamine
PubChem CID16785048
Molecular FormulaC10H18N2S
Molecular Weight198.34 g/mol
Exact Mass198.12
IUPAC NameN,N-diethyl-1-thiophen-3-ylethane-1,2-diamine
SMILESCCN(CC)C(CN)c1ccsc1
InChIInChI=1S/C10H18N2S/c1-3-12(4-2)10(7-11)9-5-6-13-8-9/h5-6,8,10H,3-4,7,11H2,1-2H3
InChIKeyLMACEHBBGMXZMU-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-thiophen-3-ylethane-1,2-diamine?
The IUPAC name of N,N-diethyl-1-thiophen-3-ylethane-1,2-diamine (CID 16785048) is N,N-diethyl-1-thiophen-3-ylethane-1,2-diamine.
What is the SMILES notation for N,N-diethyl-1-thiophen-3-ylethane-1,2-diamine?
The canonical SMILES for N,N-diethyl-1-thiophen-3-ylethane-1,2-diamine is CCN(CC)C(CN)c1ccsc1.
What is the InChIKey of N,N-diethyl-1-thiophen-3-ylethane-1,2-diamine?
The InChIKey is LMACEHBBGMXZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-3-12(4-2)10(7-11)9-5-6-13-8-9/h5-6,8,10H,3-4,7,11H2,1-2H3.
What are the key properties of N,N-diethyl-1-thiophen-3-ylethane-1,2-diamine?
N,N-diethyl-1-thiophen-3-ylethane-1,2-diamine has a molecular weight of 198.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-thiophen-3-ylethane-1,2-diamine is sourced from PubChem (CID 16785048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).