N-[(3-methyloxetan-3-yl)methyl]-2-prop-2-enylsulfanylethanamine

C10H19NOS — CID 106425300

IUPACN-[(3-methyloxetan-3-yl)methyl]-2-prop-2-enylsulfanylethanamine
SMILESC=CCSCCNCC1(C)COC1
InChIInChI=1S/C10H19NOS/c1-3-5-13-6-4-11-7-10(2)8-12-9-10/h3,11H,1,4-9H2,2H3
InChIKeyARHCQZJYRNQALI-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.53
Rot. Bonds7

About N-[(3-methyloxetan-3-yl)methyl]-2-prop-2-enylsulfanylethanamine

N-[(3-methyloxetan-3-yl)methyl]-2-prop-2-enylsulfanylethanamine (PubChem CID 106425300) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]-2-prop-2-enylsulfanylethanamine.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]-2-prop-2-enylsulfanylethanamine
PubChem CID106425300
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]-2-prop-2-enylsulfanylethanamine
SMILESC=CCSCCNCC1(C)COC1
InChIInChI=1S/C10H19NOS/c1-3-5-13-6-4-11-7-10(2)8-12-9-10/h3,11H,1,4-9H2,2H3
InChIKeyARHCQZJYRNQALI-UHFFFAOYSA-N
XLogP1.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.53
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

2-ethylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 104668793
N-(fluoromethyl)-1-(3-methyloxetan-3-yl)methanamine
CID 134447413
N-[(3-methyloxetan-3-yl)methyl]pent-3-yn-1-amine
CID 104807224
7,7-dimethyl-N-(2-prop-2-enylsulfanylethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 115906269
2-(3-methoxypropoxy)-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 103179188
2,2-dimethyl-4-(2-prop-2-enylsulfanylethylamino)butanenitrile
CID 106427918
3-methyl-4-(2-prop-2-enylsulfanylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 114187962
3-[(3-methyloxetan-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115666768
N-methyl-1-(3-methyloxetan-3-yl)methanamine
CID 42564177
N-[(3-methyloxetan-3-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine
CID 78957179
N-[(3-methyloxetan-3-yl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106724002
5-[(3-methyloxetan-3-yl)methylamino]pentanamide
CID 106233481

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-2-prop-2-enylsulfanylethanamine?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-2-prop-2-enylsulfanylethanamine (CID 106425300) is N-[(3-methyloxetan-3-yl)methyl]-2-prop-2-enylsulfanylethanamine.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]-2-prop-2-enylsulfanylethanamine?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]-2-prop-2-enylsulfanylethanamine is C=CCSCCNCC1(C)COC1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]-2-prop-2-enylsulfanylethanamine?
The InChIKey is ARHCQZJYRNQALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-3-5-13-6-4-11-7-10(2)8-12-9-10/h3,11H,1,4-9H2,2H3.
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]-2-prop-2-enylsulfanylethanamine?
N-[(3-methyloxetan-3-yl)methyl]-2-prop-2-enylsulfanylethanamine has a molecular weight of 201.33 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]-2-prop-2-enylsulfanylethanamine is sourced from PubChem (CID 106425300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).