N-[2-(2-methylprop-2-enoxy)ethyl]-4-methylsulfanylbutan-1-amine

C11H23NOS — CID 103088472

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-4-methylsulfanylbutan-1-amine
SMILESC=C(C)COCCNCCCCSC
InChIInChI=1S/C11H23NOS/c1-11(2)10-13-8-7-12-6-4-5-9-14-3/h12H,1,4-10H2,2-3H3
InChIKeyZEAPTRAZBFITMF-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.31
Rot. Bonds10

About N-[2-(2-methylprop-2-enoxy)ethyl]-4-methylsulfanylbutan-1-amine

N-[2-(2-methylprop-2-enoxy)ethyl]-4-methylsulfanylbutan-1-amine (PubChem CID 103088472) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-4-methylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-4-methylsulfanylbutan-1-amine
PubChem CID103088472
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-4-methylsulfanylbutan-1-amine
SMILESC=C(C)COCCNCCCCSC
InChIInChI=1S/C11H23NOS/c1-11(2)10-13-8-7-12-6-4-5-9-14-3/h12H,1,4-10H2,2-3H3
InChIKeyZEAPTRAZBFITMF-UHFFFAOYSA-N
XLogP2.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[2-(2-methylprop-2-enoxy)ethyl]thian-3-amine
CID 86787573
2-(2-methylprop-2-enoxy)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 114467728
N-(6H-1,3-oxathiin-2-ylmethyl)propan-1-amine
CID 146182588
(3R)-N-[2-(2-methylprop-2-enoxy)ethyl]thian-3-amine
CID 97877542
(3S)-N-[2-(2-methylprop-2-enoxy)ethyl]thian-3-amine
CID 97877543
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine
CID 102672561
2-N-[2-(2-methylprop-2-enoxy)ethyl]-5-methylsulfanylpentane-1,2-diamine
CID 103089093
3-ethylsulfanyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 104081545
N-(2-ethylsulfanylethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 104668699
2-(2-methylprop-2-enoxy)-N-(2-propylsulfonylethyl)ethanamine
CID 106724570
2-(2-methylprop-2-enoxy)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132493
5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]thiolan-3-amine
CID 114465702

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-4-methylsulfanylbutan-1-amine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-4-methylsulfanylbutan-1-amine (CID 103088472) is N-[2-(2-methylprop-2-enoxy)ethyl]-4-methylsulfanylbutan-1-amine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-4-methylsulfanylbutan-1-amine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-4-methylsulfanylbutan-1-amine is C=C(C)COCCNCCCCSC.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-4-methylsulfanylbutan-1-amine?
The InChIKey is ZEAPTRAZBFITMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-11(2)10-13-8-7-12-6-4-5-9-14-3/h12H,1,4-10H2,2-3H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-4-methylsulfanylbutan-1-amine?
N-[2-(2-methylprop-2-enoxy)ethyl]-4-methylsulfanylbutan-1-amine has a molecular weight of 217.38 g/mol, XLogP of 2.31, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-4-methylsulfanylbutan-1-amine is sourced from PubChem (CID 103088472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).