1-ethylsulfanylhept-6-en-2-amine

C9H19NS — CID 65127696

IUPAC1-ethylsulfanylhept-6-en-2-amine
SMILESC=CCCCC(N)CSCC
InChIInChI=1S/C9H19NS/c1-3-5-6-7-9(10)8-11-4-2/h3,9H,1,4-8,10H2,2H3
InChIKeyZUAMPXYSCYTVPM-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.42
Rot. Bonds7

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

1-ethylsulfanylhept-6-en-2-amine (PubChem CID 65127696) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 1-ethylsulfanylhept-6-en-2-amine.

Molecular Properties

Compound Name1-ethylsulfanylhept-6-en-2-amine
PubChem CID65127696
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name1-ethylsulfanylhept-6-en-2-amine
SMILESC=CCCCC(N)CSCC
InChIInChI=1S/C9H19NS/c1-3-5-6-7-9(10)8-11-4-2/h3,9H,1,4-8,10H2,2H3
InChIKeyZUAMPXYSCYTVPM-UHFFFAOYSA-N
XLogP2.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.42
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 1-ethylsulfanylhept-6-en-2-amine?
The IUPAC name of 1-ethylsulfanylhept-6-en-2-amine (CID 65127696) is 1-ethylsulfanylhept-6-en-2-amine.
What is the SMILES notation for 1-ethylsulfanylhept-6-en-2-amine?
The canonical SMILES for 1-ethylsulfanylhept-6-en-2-amine is C=CCCCC(N)CSCC.
What is the InChIKey of 1-ethylsulfanylhept-6-en-2-amine?
The InChIKey is ZUAMPXYSCYTVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-3-5-6-7-9(10)8-11-4-2/h3,9H,1,4-8,10H2,2H3.
What are the key properties of 1-ethylsulfanylhept-6-en-2-amine?
1-ethylsulfanylhept-6-en-2-amine has a molecular weight of 173.32 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanylhept-6-en-2-amine is sourced from PubChem (CID 65127696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).