N-(2-thiophen-2-ylethyl)-N-(2-thiophen-3-ylethyl)propan-1-amine

C15H21NS2 — CID 11076818

IUPACN-(2-thiophen-2-ylethyl)-N-(2-thiophen-3-ylethyl)propan-1-amine
SMILESCCCN(CCc1ccsc1)CCc1cccs1
InChIInChI=1S/C15H21NS2/c1-2-8-16(9-5-14-7-12-17-13-14)10-6-15-4-3-11-18-15/h3-4,7,11-13H,2,5-6,8-10H2,1H3
InChIKeyVTSGZNIOFXBPQI-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.31
Rot. Bonds8

About N-(2-thiophen-2-ylethyl)-N-(2-thiophen-3-ylethyl)propan-1-amine

N-(2-thiophen-2-ylethyl)-N-(2-thiophen-3-ylethyl)propan-1-amine (PubChem CID 11076818) has the molecular formula C15H21NS2 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)-N-(2-thiophen-3-ylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)-N-(2-thiophen-3-ylethyl)propan-1-amine
PubChem CID11076818
Molecular FormulaC15H21NS2
Molecular Weight279.47 g/mol
Exact Mass279.11
IUPAC NameN-(2-thiophen-2-ylethyl)-N-(2-thiophen-3-ylethyl)propan-1-amine
SMILESCCCN(CCc1ccsc1)CCc1cccs1
InChIInChI=1S/C15H21NS2/c1-2-8-16(9-5-14-7-12-17-13-14)10-6-15-4-3-11-18-15/h3-4,7,11-13H,2,5-6,8-10H2,1H3
InChIKeyVTSGZNIOFXBPQI-UHFFFAOYSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)-N-(2-thiophen-3-ylethyl)propan-1-amine?
The IUPAC name of N-(2-thiophen-2-ylethyl)-N-(2-thiophen-3-ylethyl)propan-1-amine (CID 11076818) is N-(2-thiophen-2-ylethyl)-N-(2-thiophen-3-ylethyl)propan-1-amine.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)-N-(2-thiophen-3-ylethyl)propan-1-amine?
The canonical SMILES for N-(2-thiophen-2-ylethyl)-N-(2-thiophen-3-ylethyl)propan-1-amine is CCCN(CCc1ccsc1)CCc1cccs1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)-N-(2-thiophen-3-ylethyl)propan-1-amine?
The InChIKey is VTSGZNIOFXBPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS2/c1-2-8-16(9-5-14-7-12-17-13-14)10-6-15-4-3-11-18-15/h3-4,7,11-13H,2,5-6,8-10H2,1H3.
What are the key properties of N-(2-thiophen-2-ylethyl)-N-(2-thiophen-3-ylethyl)propan-1-amine?
N-(2-thiophen-2-ylethyl)-N-(2-thiophen-3-ylethyl)propan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)-N-(2-thiophen-3-ylethyl)propan-1-amine is sourced from PubChem (CID 11076818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).