N-[2-(2-aminoethylsulfanyl)ethyl]-N-prop-2-enylprop-2-en-1-amine

C10H20N2S — CID 39101796

IUPACN-[2-(2-aminoethylsulfanyl)ethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCSCCN
InChIInChI=1S/C10H20N2S/c1-3-6-12(7-4-2)8-10-13-9-5-11/h3-4H,1-2,5-11H2
InChIKeyHHTXCFLKJCMVNA-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.35
Rot. Bonds9

About N-[2-(2-aminoethylsulfanyl)ethyl]-N-prop-2-enylprop-2-en-1-amine

N-[2-(2-aminoethylsulfanyl)ethyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 39101796) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is N-[2-(2-aminoethylsulfanyl)ethyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(2-aminoethylsulfanyl)ethyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID39101796
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC NameN-[2-(2-aminoethylsulfanyl)ethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCSCCN
InChIInChI=1S/C10H20N2S/c1-3-6-12(7-4-2)8-10-13-9-5-11/h3-4H,1-2,5-11H2
InChIKeyHHTXCFLKJCMVNA-UHFFFAOYSA-N
XLogP1.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylsulfanyl)ethyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[2-(2-aminoethylsulfanyl)ethyl]-N-prop-2-enylprop-2-en-1-amine (CID 39101796) is N-[2-(2-aminoethylsulfanyl)ethyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[2-(2-aminoethylsulfanyl)ethyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[2-(2-aminoethylsulfanyl)ethyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CCSCCN.
What is the InChIKey of N-[2-(2-aminoethylsulfanyl)ethyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is HHTXCFLKJCMVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-3-6-12(7-4-2)8-10-13-9-5-11/h3-4H,1-2,5-11H2.
What are the key properties of N-[2-(2-aminoethylsulfanyl)ethyl]-N-prop-2-enylprop-2-en-1-amine?
N-[2-(2-aminoethylsulfanyl)ethyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 200.35 g/mol, XLogP of 1.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylsulfanyl)ethyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 39101796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).