N-ethyl-N-naphthalen-1-yl-1-thiophen-3-ylethane-1,2-diamine

C18H20N2S — CID 43184723

IUPACN-ethyl-N-naphthalen-1-yl-1-thiophen-3-ylethane-1,2-diamine
SMILESCCN(c1cccc2ccccc12)C(CN)c1ccsc1
InChIInChI=1S/C18H20N2S/c1-2-20(18(12-19)15-10-11-21-13-15)17-9-5-7-14-6-3-4-8-16(14)17/h3-11,13,18H,2,12,19H2,1H3
InChIKeySEUDCZUTGMOAIA-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.43
Rot. Bonds5

About N-ethyl-N-naphthalen-1-yl-1-thiophen-3-ylethane-1,2-diamine

N-ethyl-N-naphthalen-1-yl-1-thiophen-3-ylethane-1,2-diamine (PubChem CID 43184723) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-ethyl-N-naphthalen-1-yl-1-thiophen-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N-naphthalen-1-yl-1-thiophen-3-ylethane-1,2-diamine
PubChem CID43184723
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC NameN-ethyl-N-naphthalen-1-yl-1-thiophen-3-ylethane-1,2-diamine
SMILESCCN(c1cccc2ccccc12)C(CN)c1ccsc1
InChIInChI=1S/C18H20N2S/c1-2-20(18(12-19)15-10-11-21-13-15)17-9-5-7-14-6-3-4-8-16(14)17/h3-11,13,18H,2,12,19H2,1H3
InChIKeySEUDCZUTGMOAIA-UHFFFAOYSA-N
XLogP4.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-naphthalen-1-yl-1-thiophen-3-ylethane-1,2-diamine?
The IUPAC name of N-ethyl-N-naphthalen-1-yl-1-thiophen-3-ylethane-1,2-diamine (CID 43184723) is N-ethyl-N-naphthalen-1-yl-1-thiophen-3-ylethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N-naphthalen-1-yl-1-thiophen-3-ylethane-1,2-diamine?
The canonical SMILES for N-ethyl-N-naphthalen-1-yl-1-thiophen-3-ylethane-1,2-diamine is CCN(c1cccc2ccccc12)C(CN)c1ccsc1.
What is the InChIKey of N-ethyl-N-naphthalen-1-yl-1-thiophen-3-ylethane-1,2-diamine?
The InChIKey is SEUDCZUTGMOAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-2-20(18(12-19)15-10-11-21-13-15)17-9-5-7-14-6-3-4-8-16(14)17/h3-11,13,18H,2,12,19H2,1H3.
What are the key properties of N-ethyl-N-naphthalen-1-yl-1-thiophen-3-ylethane-1,2-diamine?
N-ethyl-N-naphthalen-1-yl-1-thiophen-3-ylethane-1,2-diamine has a molecular weight of 296.44 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-naphthalen-1-yl-1-thiophen-3-ylethane-1,2-diamine is sourced from PubChem (CID 43184723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).