N-(2-prop-2-enylsulfanylethyl)hexan-3-amine

C11H23NS — CID 103921814

IUPACN-(2-prop-2-enylsulfanylethyl)hexan-3-amine
SMILESC=CCSCCNC(CC)CCC
InChIInChI=1S/C11H23NS/c1-4-7-11(6-3)12-8-10-13-9-5-2/h5,11-12H,2,4,6-10H2,1,3H3
InChIKeyUTGDRAYLKRGKLZ-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.07
Rot. Bonds9

About N-(2-prop-2-enylsulfanylethyl)hexan-3-amine

N-(2-prop-2-enylsulfanylethyl)hexan-3-amine (PubChem CID 103921814) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-(2-prop-2-enylsulfanylethyl)hexan-3-amine.

Molecular Properties

Compound NameN-(2-prop-2-enylsulfanylethyl)hexan-3-amine
PubChem CID103921814
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-(2-prop-2-enylsulfanylethyl)hexan-3-amine
SMILESC=CCSCCNC(CC)CCC
InChIInChI=1S/C11H23NS/c1-4-7-11(6-3)12-8-10-13-9-5-2/h5,11-12H,2,4,6-10H2,1,3H3
InChIKeyUTGDRAYLKRGKLZ-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-(2-prop-2-enylsulfanylethyl)hexan-3-amine?
The IUPAC name of N-(2-prop-2-enylsulfanylethyl)hexan-3-amine (CID 103921814) is N-(2-prop-2-enylsulfanylethyl)hexan-3-amine.
What is the SMILES notation for N-(2-prop-2-enylsulfanylethyl)hexan-3-amine?
The canonical SMILES for N-(2-prop-2-enylsulfanylethyl)hexan-3-amine is C=CCSCCNC(CC)CCC.
What is the InChIKey of N-(2-prop-2-enylsulfanylethyl)hexan-3-amine?
The InChIKey is UTGDRAYLKRGKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-4-7-11(6-3)12-8-10-13-9-5-2/h5,11-12H,2,4,6-10H2,1,3H3.
What are the key properties of N-(2-prop-2-enylsulfanylethyl)hexan-3-amine?
N-(2-prop-2-enylsulfanylethyl)hexan-3-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-(2-prop-2-enylsulfanylethyl)hexan-3-amine is sourced from PubChem (CID 103921814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).