N-ethyl-2-(pentylsulfanylmethyl)prop-2-en-1-amine

C11H23NS — CID 107754110

IUPACN-ethyl-2-(pentylsulfanylmethyl)prop-2-en-1-amine
SMILESC=C(CNCC)CSCCCCC
InChIInChI=1S/C11H23NS/c1-4-6-7-8-13-10-11(3)9-12-5-2/h12H,3-10H2,1-2H3
InChIKeyZVRZLMUDHYMWAK-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.08
Rot. Bonds9

About N-ethyl-2-(pentylsulfanylmethyl)prop-2-en-1-amine

N-ethyl-2-(pentylsulfanylmethyl)prop-2-en-1-amine (PubChem CID 107754110) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-ethyl-2-(pentylsulfanylmethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(pentylsulfanylmethyl)prop-2-en-1-amine
PubChem CID107754110
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-ethyl-2-(pentylsulfanylmethyl)prop-2-en-1-amine
SMILESC=C(CNCC)CSCCCCC
InChIInChI=1S/C11H23NS/c1-4-6-7-8-13-10-11(3)9-12-5-2/h12H,3-10H2,1-2H3
InChIKeyZVRZLMUDHYMWAK-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
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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Related Compounds

3-butylsulfanyl-2-(butylsulfanylmethyl)prop-1-ene
CID 88752987
2-(pentylsulfanylmethyl)prop-2-ene-1-thiol
CID 107766469
1-dodecylsulfanyldodecane;2-methylprop-1-ene
CID 88731676
N-ethyl-2-(heptoxymethyl)prop-2-en-1-amine
CID 103074509
potassium trifluoro(3-pentylsulfanylprop-1-en-2-yl)boranuide
CID 107754354
2-butylsulfanyl-N-(2-dodecylsulfanylethyl)ethanamine
CID 3428035
tetrakis(2-(hexylsulfanylmethyl)prop-2-enoate);methane
CID 19613977
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-hexylsulfanyloctane
CID 15742910
1-nonylsulfanyldodecane
CID 87077738
1-dodecylsulfanylicosane
CID 87077505
1-octadecylsulfanyloctacosane
CID 87077538

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(pentylsulfanylmethyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-(pentylsulfanylmethyl)prop-2-en-1-amine (CID 107754110) is N-ethyl-2-(pentylsulfanylmethyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-(pentylsulfanylmethyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-(pentylsulfanylmethyl)prop-2-en-1-amine is C=C(CNCC)CSCCCCC.
What is the InChIKey of N-ethyl-2-(pentylsulfanylmethyl)prop-2-en-1-amine?
The InChIKey is ZVRZLMUDHYMWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-4-6-7-8-13-10-11(3)9-12-5-2/h12H,3-10H2,1-2H3.
What are the key properties of N-ethyl-2-(pentylsulfanylmethyl)prop-2-en-1-amine?
N-ethyl-2-(pentylsulfanylmethyl)prop-2-en-1-amine has a molecular weight of 201.38 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(pentylsulfanylmethyl)prop-2-en-1-amine is sourced from PubChem (CID 107754110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).