N,N-diethyl-4-ethylsulfanylbutan-2-amine

C10H23NS — CID 91396101

IUPACN,N-diethyl-4-ethylsulfanylbutan-2-amine
SMILESCCSCCC(C)N(CC)CC
InChIInChI=1S/C10H23NS/c1-5-11(6-2)10(4)8-9-12-7-3/h10H,5-9H2,1-4H3
InChIKeyRXRLEVKSXZBTCI-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.86
Rot. Bonds7

About N,N-diethyl-4-ethylsulfanylbutan-2-amine

N,N-diethyl-4-ethylsulfanylbutan-2-amine (PubChem CID 91396101) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is N,N-diethyl-4-ethylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4-ethylsulfanylbutan-2-amine
PubChem CID91396101
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC NameN,N-diethyl-4-ethylsulfanylbutan-2-amine
SMILESCCSCCC(C)N(CC)CC
InChIInChI=1S/C10H23NS/c1-5-11(6-2)10(4)8-9-12-7-3/h10H,5-9H2,1-4H3
InChIKeyRXRLEVKSXZBTCI-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.86
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-diethyl-4-ethylsulfanylbutan-2-amine?
The IUPAC name of N,N-diethyl-4-ethylsulfanylbutan-2-amine (CID 91396101) is N,N-diethyl-4-ethylsulfanylbutan-2-amine.
What is the SMILES notation for N,N-diethyl-4-ethylsulfanylbutan-2-amine?
The canonical SMILES for N,N-diethyl-4-ethylsulfanylbutan-2-amine is CCSCCC(C)N(CC)CC.
What is the InChIKey of N,N-diethyl-4-ethylsulfanylbutan-2-amine?
The InChIKey is RXRLEVKSXZBTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-5-11(6-2)10(4)8-9-12-7-3/h10H,5-9H2,1-4H3.
What are the key properties of N,N-diethyl-4-ethylsulfanylbutan-2-amine?
N,N-diethyl-4-ethylsulfanylbutan-2-amine has a molecular weight of 189.37 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-ethylsulfanylbutan-2-amine is sourced from PubChem (CID 91396101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).