N-butyl-N-ethylsulfanylbutan-1-amine

C10H23NS — CID 57284672

IUPACN-butyl-N-ethylsulfanylbutan-1-amine
SMILESCCCCN(CCCC)SCC
InChIInChI=1S/C10H23NS/c1-4-7-9-11(12-6-3)10-8-5-2/h4-10H2,1-3H3
InChIKeyDDDSUYVCCNYIDD-UHFFFAOYSA-N
MW189.37 g/mol
LogP3.56
Rot. Bonds8

About N-butyl-N-ethylsulfanylbutan-1-amine

N-butyl-N-ethylsulfanylbutan-1-amine (PubChem CID 57284672) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is N-butyl-N-ethylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-butyl-N-ethylsulfanylbutan-1-amine
PubChem CID57284672
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC NameN-butyl-N-ethylsulfanylbutan-1-amine
SMILESCCCCN(CCCC)SCC
InChIInChI=1S/C10H23NS/c1-4-7-9-11(12-6-3)10-8-5-2/h4-10H2,1-3H3
InChIKeyDDDSUYVCCNYIDD-UHFFFAOYSA-N
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethylsulfanylbutan-1-amine?
The IUPAC name of N-butyl-N-ethylsulfanylbutan-1-amine (CID 57284672) is N-butyl-N-ethylsulfanylbutan-1-amine.
What is the SMILES notation for N-butyl-N-ethylsulfanylbutan-1-amine?
The canonical SMILES for N-butyl-N-ethylsulfanylbutan-1-amine is CCCCN(CCCC)SCC.
What is the InChIKey of N-butyl-N-ethylsulfanylbutan-1-amine?
The InChIKey is DDDSUYVCCNYIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-4-7-9-11(12-6-3)10-8-5-2/h4-10H2,1-3H3.
What are the key properties of N-butyl-N-ethylsulfanylbutan-1-amine?
N-butyl-N-ethylsulfanylbutan-1-amine has a molecular weight of 189.37 g/mol, XLogP of 3.56, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethylsulfanylbutan-1-amine is sourced from PubChem (CID 57284672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).