2-[3-(2-aminoethylamino)propylamino]ethanethiol

C7H19N3S — CID 10464868

IUPAC2-[3-(2-aminoethylamino)propylamino]ethanethiol
SMILESNCCNCCCNCCS
InChIInChI=1S/C7H19N3S/c8-2-5-9-3-1-4-10-6-7-11/h9-11H,1-8H2
InChIKeyNBDDORJDQATIOD-UHFFFAOYSA-N
MW177.32 g/mol
LogP-0.56
Rot. Bonds8

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

2-[3-(2-aminoethylamino)propylamino]ethanethiol (PubChem CID 10464868) has the molecular formula C7H19N3S and a molecular weight of 177.32 g/mol. Its IUPAC name is 2-[3-(2-aminoethylamino)propylamino]ethanethiol.

Molecular Properties

Compound Name2-[3-(2-aminoethylamino)propylamino]ethanethiol
PubChem CID10464868
Molecular FormulaC7H19N3S
Molecular Weight177.32 g/mol
Exact Mass177.13
IUPAC Name2-[3-(2-aminoethylamino)propylamino]ethanethiol
SMILESNCCNCCCNCCS
InChIInChI=1S/C7H19N3S/c8-2-5-9-3-1-4-10-6-7-11/h9-11H,1-8H2
InChIKeyNBDDORJDQATIOD-UHFFFAOYSA-N
XLogP-0.56
TPSA50.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.32
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-((3-Aminopropyl)amino)ethanethiol
CID 104807
2-(3-Aminopropylamino)ethanethiol dihydrochloride
CID 146169
2-Propanethiol, 1-((3-aminopropyl)amino)-
CID 3078317
2-[(2-Aminoethyl)amino]ethane-1-thiol
CID 6397706
Ethanethiol, dihydrochloride
CID 54600690
3-(3-Methylaminopropylamino)propylmercaptan
CID 129036
S-2-(3-methylaminopropylamino)ethanethiol
CID 146673
2-(3-Aminopropylamino)ethaneperthiol
CID 3081097
Aminopropylaminoethanethiol
CID 17835450
3-(2-Aminoethylamino)propane-1-thiol
CID 20551152
Thiospermine
CID 139592959
2-[2-(Ethylamino)ethylamino]ethanethiol
CID 211753

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethylamino)propylamino]ethanethiol?
The IUPAC name of 2-[3-(2-aminoethylamino)propylamino]ethanethiol (CID 10464868) is 2-[3-(2-aminoethylamino)propylamino]ethanethiol.
What is the SMILES notation for 2-[3-(2-aminoethylamino)propylamino]ethanethiol?
The canonical SMILES for 2-[3-(2-aminoethylamino)propylamino]ethanethiol is NCCNCCCNCCS.
What is the InChIKey of 2-[3-(2-aminoethylamino)propylamino]ethanethiol?
The InChIKey is NBDDORJDQATIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3S/c8-2-5-9-3-1-4-10-6-7-11/h9-11H,1-8H2.
What are the key properties of 2-[3-(2-aminoethylamino)propylamino]ethanethiol?
2-[3-(2-aminoethylamino)propylamino]ethanethiol has a molecular weight of 177.32 g/mol, XLogP of -0.56, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethylamino)propylamino]ethanethiol is sourced from PubChem (CID 10464868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).