2-[3-(ethylamino)propylamino]ethanethiol

C7H18N2S — CID 21116588

IUPAC2-[3-(ethylamino)propylamino]ethanethiol
SMILESCCNCCCNCCS
InChIInChI=1S/C7H18N2S/c1-2-8-4-3-5-9-6-7-10/h8-10H,2-7H2,1H3
InChIKeyCBXALHCMBVLHFH-UHFFFAOYSA-N
MW162.30 g/mol
LogP0.51
Rot. Bonds7

About 2-[3-(ethylamino)propylamino]ethanethiol

2-[3-(ethylamino)propylamino]ethanethiol (PubChem CID 21116588) has the molecular formula C7H18N2S and a molecular weight of 162.30 g/mol. Its IUPAC name is 2-[3-(ethylamino)propylamino]ethanethiol.

Molecular Properties

Compound Name2-[3-(ethylamino)propylamino]ethanethiol
PubChem CID21116588
Molecular FormulaC7H18N2S
Molecular Weight162.30 g/mol
Exact Mass162.12
IUPAC Name2-[3-(ethylamino)propylamino]ethanethiol
SMILESCCNCCCNCCS
InChIInChI=1S/C7H18N2S/c1-2-8-4-3-5-9-6-7-10/h8-10H,2-7H2,1H3
InChIKeyCBXALHCMBVLHFH-UHFFFAOYSA-N
XLogP0.51
TPSA24.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)propylamino]ethanethiol?
The IUPAC name of 2-[3-(ethylamino)propylamino]ethanethiol (CID 21116588) is 2-[3-(ethylamino)propylamino]ethanethiol.
What is the SMILES notation for 2-[3-(ethylamino)propylamino]ethanethiol?
The canonical SMILES for 2-[3-(ethylamino)propylamino]ethanethiol is CCNCCCNCCS.
What is the InChIKey of 2-[3-(ethylamino)propylamino]ethanethiol?
The InChIKey is CBXALHCMBVLHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2S/c1-2-8-4-3-5-9-6-7-10/h8-10H,2-7H2,1H3.
What are the key properties of 2-[3-(ethylamino)propylamino]ethanethiol?
2-[3-(ethylamino)propylamino]ethanethiol has a molecular weight of 162.30 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)propylamino]ethanethiol is sourced from PubChem (CID 21116588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).