2-[2-[2-(methylamino)ethyl-propylamino]ethylamino]ethanethiol

C10H25N3S — CID 58743115

IUPAC2-[2-[2-(methylamino)ethyl-propylamino]ethylamino]ethanethiol
SMILESCCCN(CCNC)CCNCCS
InChIInChI=1S/C10H25N3S/c1-3-7-13(8-4-11-2)9-5-12-6-10-14/h11-12,14H,3-10H2,1-2H3
InChIKeyAXKLGNYVLXOBOS-UHFFFAOYSA-N
MW219.40 g/mol
LogP0.44
Rot. Bonds10

About 2-[2-[2-(methylamino)ethyl-propylamino]ethylamino]ethanethiol

2-[2-[2-(methylamino)ethyl-propylamino]ethylamino]ethanethiol (PubChem CID 58743115) has the molecular formula C10H25N3S and a molecular weight of 219.40 g/mol. Its IUPAC name is 2-[2-[2-(methylamino)ethyl-propylamino]ethylamino]ethanethiol.

Molecular Properties

Compound Name2-[2-[2-(methylamino)ethyl-propylamino]ethylamino]ethanethiol
PubChem CID58743115
Molecular FormulaC10H25N3S
Molecular Weight219.40 g/mol
Exact Mass219.18
IUPAC Name2-[2-[2-(methylamino)ethyl-propylamino]ethylamino]ethanethiol
SMILESCCCN(CCNC)CCNCCS
InChIInChI=1S/C10H25N3S/c1-3-7-13(8-4-11-2)9-5-12-6-10-14/h11-12,14H,3-10H2,1-2H3
InChIKeyAXKLGNYVLXOBOS-UHFFFAOYSA-N
XLogP0.44
TPSA27.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.40
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[2-(methylamino)ethyl-propylamino]ethylamino]ethanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(methylamino)ethyl-propylamino]ethylamino]ethanethiol?
The IUPAC name of 2-[2-[2-(methylamino)ethyl-propylamino]ethylamino]ethanethiol (CID 58743115) is 2-[2-[2-(methylamino)ethyl-propylamino]ethylamino]ethanethiol.
What is the SMILES notation for 2-[2-[2-(methylamino)ethyl-propylamino]ethylamino]ethanethiol?
The canonical SMILES for 2-[2-[2-(methylamino)ethyl-propylamino]ethylamino]ethanethiol is CCCN(CCNC)CCNCCS.
What is the InChIKey of 2-[2-[2-(methylamino)ethyl-propylamino]ethylamino]ethanethiol?
The InChIKey is AXKLGNYVLXOBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3S/c1-3-7-13(8-4-11-2)9-5-12-6-10-14/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 2-[2-[2-(methylamino)ethyl-propylamino]ethylamino]ethanethiol?
2-[2-[2-(methylamino)ethyl-propylamino]ethylamino]ethanethiol has a molecular weight of 219.40 g/mol, XLogP of 0.44, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(methylamino)ethyl-propylamino]ethylamino]ethanethiol is sourced from PubChem (CID 58743115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).