N-[2-[2-[bis(prop-2-enyl)amino]ethyldisulfanyl]ethyl]-N-prop-2-enylprop-2-en-1-amine

C16H28N2S2 — CID 156598449

IUPACN-[2-[2-[bis(prop-2-enyl)amino]ethyldisulfanyl]ethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCSSCCN(CC=C)CC=C
InChIInChI=1S/C16H28N2S2/c1-5-9-17(10-6-2)13-15-19-20-16-14-18(11-7-3)12-8-4/h5-8H,1-4,9-16H2
InChIKeyARVAHGPKDBMFFB-UHFFFAOYSA-N
MW312.55 g/mol
LogP3.72
Rot. Bonds15

About N-[2-[2-[bis(prop-2-enyl)amino]ethyldisulfanyl]ethyl]-N-prop-2-enylprop-2-en-1-amine

N-[2-[2-[bis(prop-2-enyl)amino]ethyldisulfanyl]ethyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 156598449) has the molecular formula C16H28N2S2 and a molecular weight of 312.55 g/mol. Its IUPAC name is N-[2-[2-[bis(prop-2-enyl)amino]ethyldisulfanyl]ethyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-[2-[bis(prop-2-enyl)amino]ethyldisulfanyl]ethyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID156598449
Molecular FormulaC16H28N2S2
Molecular Weight312.55 g/mol
Exact Mass312.17
IUPAC NameN-[2-[2-[bis(prop-2-enyl)amino]ethyldisulfanyl]ethyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CCSSCCN(CC=C)CC=C
InChIInChI=1S/C16H28N2S2/c1-5-9-17(10-6-2)13-15-19-20-16-14-18(11-7-3)12-8-4/h5-8H,1-4,9-16H2
InChIKeyARVAHGPKDBMFFB-UHFFFAOYSA-N
XLogP3.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', '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-[bis(prop-2-enyl)amino]ethyldisulfanyl]ethyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[2-[2-[bis(prop-2-enyl)amino]ethyldisulfanyl]ethyl]-N-prop-2-enylprop-2-en-1-amine (CID 156598449) is N-[2-[2-[bis(prop-2-enyl)amino]ethyldisulfanyl]ethyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[2-[2-[bis(prop-2-enyl)amino]ethyldisulfanyl]ethyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[2-[2-[bis(prop-2-enyl)amino]ethyldisulfanyl]ethyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CCSSCCN(CC=C)CC=C.
What is the InChIKey of N-[2-[2-[bis(prop-2-enyl)amino]ethyldisulfanyl]ethyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is ARVAHGPKDBMFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S2/c1-5-9-17(10-6-2)13-15-19-20-16-14-18(11-7-3)12-8-4/h5-8H,1-4,9-16H2.
What are the key properties of N-[2-[2-[bis(prop-2-enyl)amino]ethyldisulfanyl]ethyl]-N-prop-2-enylprop-2-en-1-amine?
N-[2-[2-[bis(prop-2-enyl)amino]ethyldisulfanyl]ethyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 312.55 g/mol, XLogP of 3.72, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[bis(prop-2-enyl)amino]ethyldisulfanyl]ethyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 156598449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).