N-ethyl-1-ethylsulfanylhept-6-en-2-amine

C11H23NS — CID 65127777

IUPACN-ethyl-1-ethylsulfanylhept-6-en-2-amine
SMILESC=CCCCC(CSCC)NCC
InChIInChI=1S/C11H23NS/c1-4-7-8-9-11(12-5-2)10-13-6-3/h4,11-12H,1,5-10H2,2-3H3
InChIKeyQKEKZJLHILJKKB-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.07
Rot. Bonds9

About N-ethyl-1-ethylsulfanylhept-6-en-2-amine

N-ethyl-1-ethylsulfanylhept-6-en-2-amine (PubChem CID 65127777) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-ethyl-1-ethylsulfanylhept-6-en-2-amine.

Molecular Properties

Compound NameN-ethyl-1-ethylsulfanylhept-6-en-2-amine
PubChem CID65127777
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-ethyl-1-ethylsulfanylhept-6-en-2-amine
SMILESC=CCCCC(CSCC)NCC
InChIInChI=1S/C11H23NS/c1-4-7-8-9-11(12-5-2)10-13-6-3/h4,11-12H,1,5-10H2,2-3H3
InChIKeyQKEKZJLHILJKKB-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-ethylsulfanylhept-6-en-2-amine?
The IUPAC name of N-ethyl-1-ethylsulfanylhept-6-en-2-amine (CID 65127777) is N-ethyl-1-ethylsulfanylhept-6-en-2-amine.
What is the SMILES notation for N-ethyl-1-ethylsulfanylhept-6-en-2-amine?
The canonical SMILES for N-ethyl-1-ethylsulfanylhept-6-en-2-amine is C=CCCCC(CSCC)NCC.
What is the InChIKey of N-ethyl-1-ethylsulfanylhept-6-en-2-amine?
The InChIKey is QKEKZJLHILJKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-4-7-8-9-11(12-5-2)10-13-6-3/h4,11-12H,1,5-10H2,2-3H3.
What are the key properties of N-ethyl-1-ethylsulfanylhept-6-en-2-amine?
N-ethyl-1-ethylsulfanylhept-6-en-2-amine has a molecular weight of 201.38 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-ethylsulfanylhept-6-en-2-amine is sourced from PubChem (CID 65127777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).