N-[2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethyl]-N-propan-2-ylpropan-2-amine

C16H36N2S — CID 517943

IUPACN-[2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCSCCN(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C16H36N2S/c1-13(2)17(14(3)4)9-11-19-12-10-18(15(5)6)16(7)8/h13-16H,9-12H2,1-8H3
InChIKeyVRSFIFVYZVUBLG-UHFFFAOYSA-N
MW288.54 g/mol
LogP3.96
Rot. Bonds10

About N-[2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethyl]-N-propan-2-ylpropan-2-amine

N-[2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 517943) has the molecular formula C16H36N2S and a molecular weight of 288.54 g/mol. Its IUPAC name is N-[2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID517943
Molecular FormulaC16H36N2S
Molecular Weight288.54 g/mol
Exact Mass288.26
IUPAC NameN-[2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCSCCN(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C16H36N2S/c1-13(2)17(14(3)4)9-11-19-12-10-18(15(5)6)16(7)8/h13-16H,9-12H2,1-8H3
InChIKeyVRSFIFVYZVUBLG-UHFFFAOYSA-N
XLogP3.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.54
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethyl]-N-propan-2-ylpropan-2-amine (CID 517943) is N-[2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CCSCCN(C(C)C)C(C)C)C(C)C.
What is the InChIKey of N-[2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is VRSFIFVYZVUBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2S/c1-13(2)17(14(3)4)9-11-19-12-10-18(15(5)6)16(7)8/h13-16H,9-12H2,1-8H3.
What are the key properties of N-[2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 288.54 g/mol, XLogP of 3.96, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[di(propan-2-yl)amino]ethylsulfanyl]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 517943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).