N-butyl-N-(ethylsulfanylmethyl)butan-1-amine

C11H25NS — CID 20656531

IUPACN-butyl-N-(ethylsulfanylmethyl)butan-1-amine
SMILESCCCCN(CCCC)CSCC
InChIInChI=1S/C11H25NS/c1-4-7-9-12(10-8-5-2)11-13-6-3/h4-11H2,1-3H3
InChIKeyLYOAEBUPHLONDV-UHFFFAOYSA-N
MW203.39 g/mol
LogP3.60
Rot. Bonds9

About N-butyl-N-(ethylsulfanylmethyl)butan-1-amine

N-butyl-N-(ethylsulfanylmethyl)butan-1-amine (PubChem CID 20656531) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is N-butyl-N-(ethylsulfanylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-(ethylsulfanylmethyl)butan-1-amine
PubChem CID20656531
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC NameN-butyl-N-(ethylsulfanylmethyl)butan-1-amine
SMILESCCCCN(CCCC)CSCC
InChIInChI=1S/C11H25NS/c1-4-7-9-12(10-8-5-2)11-13-6-3/h4-11H2,1-3H3
InChIKeyLYOAEBUPHLONDV-UHFFFAOYSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(ethylsulfanylmethyl)butan-1-amine?
The IUPAC name of N-butyl-N-(ethylsulfanylmethyl)butan-1-amine (CID 20656531) is N-butyl-N-(ethylsulfanylmethyl)butan-1-amine.
What is the SMILES notation for N-butyl-N-(ethylsulfanylmethyl)butan-1-amine?
The canonical SMILES for N-butyl-N-(ethylsulfanylmethyl)butan-1-amine is CCCCN(CCCC)CSCC.
What is the InChIKey of N-butyl-N-(ethylsulfanylmethyl)butan-1-amine?
The InChIKey is LYOAEBUPHLONDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NS/c1-4-7-9-12(10-8-5-2)11-13-6-3/h4-11H2,1-3H3.
What are the key properties of N-butyl-N-(ethylsulfanylmethyl)butan-1-amine?
N-butyl-N-(ethylsulfanylmethyl)butan-1-amine has a molecular weight of 203.39 g/mol, XLogP of 3.60, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(ethylsulfanylmethyl)butan-1-amine is sourced from PubChem (CID 20656531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).