N-(2-prop-2-enylsulfanylethyl)hexan-1-amine

C11H23NS — CID 106425181

IUPACN-(2-prop-2-enylsulfanylethyl)hexan-1-amine
SMILESC=CCSCCNCCCCCC
InChIInChI=1S/C11H23NS/c1-3-5-6-7-8-12-9-11-13-10-4-2/h4,12H,2-3,5-11H2,1H3
InChIKeyLNZJMWHHGCZIQB-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.08
Rot. Bonds10

About N-(2-prop-2-enylsulfanylethyl)hexan-1-amine

N-(2-prop-2-enylsulfanylethyl)hexan-1-amine (PubChem CID 106425181) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-(2-prop-2-enylsulfanylethyl)hexan-1-amine.

Molecular Properties

Compound NameN-(2-prop-2-enylsulfanylethyl)hexan-1-amine
PubChem CID106425181
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-(2-prop-2-enylsulfanylethyl)hexan-1-amine
SMILESC=CCSCCNCCCCCC
InChIInChI=1S/C11H23NS/c1-3-5-6-7-8-12-9-11-13-10-4-2/h4,12H,2-3,5-11H2,1H3
InChIKeyLNZJMWHHGCZIQB-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.08
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-(2-prop-2-enylsulfanylethyl)hexan-1-amine?
The IUPAC name of N-(2-prop-2-enylsulfanylethyl)hexan-1-amine (CID 106425181) is N-(2-prop-2-enylsulfanylethyl)hexan-1-amine.
What is the SMILES notation for N-(2-prop-2-enylsulfanylethyl)hexan-1-amine?
The canonical SMILES for N-(2-prop-2-enylsulfanylethyl)hexan-1-amine is C=CCSCCNCCCCCC.
What is the InChIKey of N-(2-prop-2-enylsulfanylethyl)hexan-1-amine?
The InChIKey is LNZJMWHHGCZIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-3-5-6-7-8-12-9-11-13-10-4-2/h4,12H,2-3,5-11H2,1H3.
What are the key properties of N-(2-prop-2-enylsulfanylethyl)hexan-1-amine?
N-(2-prop-2-enylsulfanylethyl)hexan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 3.08, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-enylsulfanylethyl)hexan-1-amine is sourced from PubChem (CID 106425181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).