N,4-dimethyl-N-(1-prop-2-enylsulfanylethyl)hex-1-en-2-amine

C13H25NS — CID 174335647

IUPACN,4-dimethyl-N-(1-prop-2-enylsulfanylethyl)hex-1-en-2-amine
SMILESC=CCSC(C)N(C)C(=C)CC(C)CC
InChIInChI=1S/C13H25NS/c1-7-9-15-13(5)14(6)12(4)10-11(3)8-2/h7,11,13H,1,4,8-10H2,2-3,5-6H3
InChIKeyVHOWQXKCILTIHA-UHFFFAOYSA-N
MW227.42 g/mol
LogP4.13
Rot. Bonds8

About N,4-dimethyl-N-(1-prop-2-enylsulfanylethyl)hex-1-en-2-amine

N,4-dimethyl-N-(1-prop-2-enylsulfanylethyl)hex-1-en-2-amine (PubChem CID 174335647) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is N,4-dimethyl-N-(1-prop-2-enylsulfanylethyl)hex-1-en-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-(1-prop-2-enylsulfanylethyl)hex-1-en-2-amine
PubChem CID174335647
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC NameN,4-dimethyl-N-(1-prop-2-enylsulfanylethyl)hex-1-en-2-amine
SMILESC=CCSC(C)N(C)C(=C)CC(C)CC
InChIInChI=1S/C13H25NS/c1-7-9-15-13(5)14(6)12(4)10-11(3)8-2/h7,11,13H,1,4,8-10H2,2-3,5-6H3
InChIKeyVHOWQXKCILTIHA-UHFFFAOYSA-N
XLogP4.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(1-prop-2-enylsulfanylethyl)hex-1-en-2-amine?
The IUPAC name of N,4-dimethyl-N-(1-prop-2-enylsulfanylethyl)hex-1-en-2-amine (CID 174335647) is N,4-dimethyl-N-(1-prop-2-enylsulfanylethyl)hex-1-en-2-amine.
What is the SMILES notation for N,4-dimethyl-N-(1-prop-2-enylsulfanylethyl)hex-1-en-2-amine?
The canonical SMILES for N,4-dimethyl-N-(1-prop-2-enylsulfanylethyl)hex-1-en-2-amine is C=CCSC(C)N(C)C(=C)CC(C)CC.
What is the InChIKey of N,4-dimethyl-N-(1-prop-2-enylsulfanylethyl)hex-1-en-2-amine?
The InChIKey is VHOWQXKCILTIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-7-9-15-13(5)14(6)12(4)10-11(3)8-2/h7,11,13H,1,4,8-10H2,2-3,5-6H3.
What are the key properties of N,4-dimethyl-N-(1-prop-2-enylsulfanylethyl)hex-1-en-2-amine?
N,4-dimethyl-N-(1-prop-2-enylsulfanylethyl)hex-1-en-2-amine has a molecular weight of 227.42 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(1-prop-2-enylsulfanylethyl)hex-1-en-2-amine is sourced from PubChem (CID 174335647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).