2-(2-methylprop-2-enoxy)-N-(thiolan-3-ylmethyl)ethanamine

C11H21NOS — CID 107132493

IUPAC2-(2-methylprop-2-enoxy)-N-(thiolan-3-ylmethyl)ethanamine
SMILESC=C(C)COCCNCC1CCSC1
InChIInChI=1S/C11H21NOS/c1-10(2)8-13-5-4-12-7-11-3-6-14-9-11/h11-12H,1,3-9H2,2H3
InChIKeyGRMHARLYOWQGLR-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.92
Rot. Bonds7

About 2-(2-methylprop-2-enoxy)-N-(thiolan-3-ylmethyl)ethanamine

2-(2-methylprop-2-enoxy)-N-(thiolan-3-ylmethyl)ethanamine (PubChem CID 107132493) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoxy)-N-(thiolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylprop-2-enoxy)-N-(thiolan-3-ylmethyl)ethanamine
PubChem CID107132493
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name2-(2-methylprop-2-enoxy)-N-(thiolan-3-ylmethyl)ethanamine
SMILESC=C(C)COCCNCC1CCSC1
InChIInChI=1S/C11H21NOS/c1-10(2)8-13-5-4-12-7-11-3-6-14-9-11/h11-12H,1,3-9H2,2H3
InChIKeyGRMHARLYOWQGLR-UHFFFAOYSA-N
XLogP1.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.92
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

3-(2-methylprop-2-enyl)thiolane
CID 89152874
2-(2-methylprop-2-enoxy)-N-(oxan-3-ylmethyl)ethanamine
CID 115908252
3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine
CID 107131174
methyl 3-(thiolan-3-ylmethylamino)propanoate
CID 107131384
N-[2-(2-methylprop-2-enoxy)ethyl]-2-thiomorpholin-3-ylacetamide
CID 114467849
1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine
CID 107131394
2-prop-2-enylsulfanyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107166202
5-methyl-N-(thiolan-3-ylmethyl)hexan-1-amine
CID 107132315
2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107131923
tert-butyl 3-(thiolan-3-ylmethylamino)propanoate
CID 107166442
2-(1-methylpiperidin-4-yl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132495
2-tert-butylsulfonyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107166323

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoxy)-N-(thiolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(2-methylprop-2-enoxy)-N-(thiolan-3-ylmethyl)ethanamine (CID 107132493) is 2-(2-methylprop-2-enoxy)-N-(thiolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-methylprop-2-enoxy)-N-(thiolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-methylprop-2-enoxy)-N-(thiolan-3-ylmethyl)ethanamine is C=C(C)COCCNCC1CCSC1.
What is the InChIKey of 2-(2-methylprop-2-enoxy)-N-(thiolan-3-ylmethyl)ethanamine?
The InChIKey is GRMHARLYOWQGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-10(2)8-13-5-4-12-7-11-3-6-14-9-11/h11-12H,1,3-9H2,2H3.
What are the key properties of 2-(2-methylprop-2-enoxy)-N-(thiolan-3-ylmethyl)ethanamine?
2-(2-methylprop-2-enoxy)-N-(thiolan-3-ylmethyl)ethanamine has a molecular weight of 215.36 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoxy)-N-(thiolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 107132493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).