N,N-dimethyl-2-(3-methylbutylsulfanyl)ethanamine

C9H21NS — CID 154677669

IUPACN,N-dimethyl-2-(3-methylbutylsulfanyl)ethanamine
SMILESCC(C)CCSCCN(C)C
InChIInChI=1S/C9H21NS/c1-9(2)5-7-11-8-6-10(3)4/h9H,5-8H2,1-4H3
InChIKeyUQUNBXSBGQIDAG-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.33
Rot. Bonds6

About N,N-dimethyl-2-(3-methylbutylsulfanyl)ethanamine

N,N-dimethyl-2-(3-methylbutylsulfanyl)ethanamine (PubChem CID 154677669) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-methylbutylsulfanyl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-methylbutylsulfanyl)ethanamine
PubChem CID154677669
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC NameN,N-dimethyl-2-(3-methylbutylsulfanyl)ethanamine
SMILESCC(C)CCSCCN(C)C
InChIInChI=1S/C9H21NS/c1-9(2)5-7-11-8-6-10(3)4/h9H,5-8H2,1-4H3
InChIKeyUQUNBXSBGQIDAG-UHFFFAOYSA-N
XLogP2.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,N-dimethyl-2-(3-methylbutylsulfanyl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(3-methylbutylsulfanyl)ethanamine (CID 154677669) is N,N-dimethyl-2-(3-methylbutylsulfanyl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(3-methylbutylsulfanyl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(3-methylbutylsulfanyl)ethanamine is CC(C)CCSCCN(C)C.
What is the InChIKey of N,N-dimethyl-2-(3-methylbutylsulfanyl)ethanamine?
The InChIKey is UQUNBXSBGQIDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-9(2)5-7-11-8-6-10(3)4/h9H,5-8H2,1-4H3.
What are the key properties of N,N-dimethyl-2-(3-methylbutylsulfanyl)ethanamine?
N,N-dimethyl-2-(3-methylbutylsulfanyl)ethanamine has a molecular weight of 175.34 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-methylbutylsulfanyl)ethanamine is sourced from PubChem (CID 154677669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).