2-methyl-N-[2-[2-(propan-2-ylamino)ethylsulfanyl]ethyl]propan-2-amine

C11H26N2S — CID 134386571

IUPAC2-methyl-N-[2-[2-(propan-2-ylamino)ethylsulfanyl]ethyl]propan-2-amine
SMILESCC(C)NCCSCCNC(C)(C)C
InChIInChI=1S/C11H26N2S/c1-10(2)12-6-8-14-9-7-13-11(3,4)5/h10,12-13H,6-9H2,1-5H3
InChIKeyZQIJUEJYHGLEAP-UHFFFAOYSA-N
MW218.41 g/mol
LogP2.11
Rot. Bonds7

About 2-methyl-N-[2-[2-(propan-2-ylamino)ethylsulfanyl]ethyl]propan-2-amine

2-methyl-N-[2-[2-(propan-2-ylamino)ethylsulfanyl]ethyl]propan-2-amine (PubChem CID 134386571) has the molecular formula C11H26N2S and a molecular weight of 218.41 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(propan-2-ylamino)ethylsulfanyl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(propan-2-ylamino)ethylsulfanyl]ethyl]propan-2-amine
PubChem CID134386571
Molecular FormulaC11H26N2S
Molecular Weight218.41 g/mol
Exact Mass218.18
IUPAC Name2-methyl-N-[2-[2-(propan-2-ylamino)ethylsulfanyl]ethyl]propan-2-amine
SMILESCC(C)NCCSCCNC(C)(C)C
InChIInChI=1S/C11H26N2S/c1-10(2)12-6-8-14-9-7-13-11(3,4)5/h10,12-13H,6-9H2,1-5H3
InChIKeyZQIJUEJYHGLEAP-UHFFFAOYSA-N
XLogP2.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
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 2-methyl-N-[2-[2-(propan-2-ylamino)ethylsulfanyl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[2-(propan-2-ylamino)ethylsulfanyl]ethyl]propan-2-amine (CID 134386571) is 2-methyl-N-[2-[2-(propan-2-ylamino)ethylsulfanyl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[2-(propan-2-ylamino)ethylsulfanyl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[2-(propan-2-ylamino)ethylsulfanyl]ethyl]propan-2-amine is CC(C)NCCSCCNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[2-[2-(propan-2-ylamino)ethylsulfanyl]ethyl]propan-2-amine?
The InChIKey is ZQIJUEJYHGLEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2S/c1-10(2)12-6-8-14-9-7-13-11(3,4)5/h10,12-13H,6-9H2,1-5H3.
What are the key properties of 2-methyl-N-[2-[2-(propan-2-ylamino)ethylsulfanyl]ethyl]propan-2-amine?
2-methyl-N-[2-[2-(propan-2-ylamino)ethylsulfanyl]ethyl]propan-2-amine has a molecular weight of 218.41 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(propan-2-ylamino)ethylsulfanyl]ethyl]propan-2-amine is sourced from PubChem (CID 134386571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).