2-(2-methylpropoxy)-N-(2-prop-2-ynylsulfanylethyl)ethanamine

C11H21NOS — CID 106428413

IUPAC2-(2-methylpropoxy)-N-(2-prop-2-ynylsulfanylethyl)ethanamine
SMILESC#CCSCCNCCOCC(C)C
InChIInChI=1S/C11H21NOS/c1-4-8-14-9-6-12-5-7-13-10-11(2)3/h1,11-12H,5-10H2,2-3H3
InChIKeyYOEMVQWDAFDCQE-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.62
Rot. Bonds9

About 2-(2-methylpropoxy)-N-(2-prop-2-ynylsulfanylethyl)ethanamine

2-(2-methylpropoxy)-N-(2-prop-2-ynylsulfanylethyl)ethanamine (PubChem CID 106428413) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-N-(2-prop-2-ynylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylpropoxy)-N-(2-prop-2-ynylsulfanylethyl)ethanamine
PubChem CID106428413
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name2-(2-methylpropoxy)-N-(2-prop-2-ynylsulfanylethyl)ethanamine
SMILESC#CCSCCNCCOCC(C)C
InChIInChI=1S/C11H21NOS/c1-4-8-14-9-6-12-5-7-13-10-11(2)3/h1,11-12H,5-10H2,2-3H3
InChIKeyYOEMVQWDAFDCQE-UHFFFAOYSA-N
XLogP1.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methylpropoxy)ethyl]hex-5-yn-1-amine
CID 106211399
ethyl 2-[2-(2-prop-2-ynylsulfanylethylamino)ethoxy]acetate
CID 106429938
N-(2-prop-2-ynylsulfanylethyl)but-3-yn-2-amine
CID 106428583
4-methoxy-N-(2-prop-2-ynylsulfanylethyl)butan-2-amine
CID 115891473
2,2-dimethyl-4-(2-prop-2-ynylsulfanylethylamino)butanenitrile
CID 106428735
3-methyl-N-(2-prop-2-ynylsulfanylethyl)pentan-2-amine
CID 103902534
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine
CID 106449858
2-methyl-1-prop-2-ynoxypropane
CID 57470525
N-[2-(2-methylpropoxy)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 106451162
2,2-dimethyl-3-(2-prop-2-ynylsulfanylethylamino)propanoic acid
CID 106428755
N-[2-(3-methylbutoxy)ethyl]but-3-yn-1-amine
CID 63656269
N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
CID 62565030

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-N-(2-prop-2-ynylsulfanylethyl)ethanamine?
The IUPAC name of 2-(2-methylpropoxy)-N-(2-prop-2-ynylsulfanylethyl)ethanamine (CID 106428413) is 2-(2-methylpropoxy)-N-(2-prop-2-ynylsulfanylethyl)ethanamine.
What is the SMILES notation for 2-(2-methylpropoxy)-N-(2-prop-2-ynylsulfanylethyl)ethanamine?
The canonical SMILES for 2-(2-methylpropoxy)-N-(2-prop-2-ynylsulfanylethyl)ethanamine is C#CCSCCNCCOCC(C)C.
What is the InChIKey of 2-(2-methylpropoxy)-N-(2-prop-2-ynylsulfanylethyl)ethanamine?
The InChIKey is YOEMVQWDAFDCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-4-8-14-9-6-12-5-7-13-10-11(2)3/h1,11-12H,5-10H2,2-3H3.
What are the key properties of 2-(2-methylpropoxy)-N-(2-prop-2-ynylsulfanylethyl)ethanamine?
2-(2-methylpropoxy)-N-(2-prop-2-ynylsulfanylethyl)ethanamine has a molecular weight of 215.36 g/mol, XLogP of 1.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-N-(2-prop-2-ynylsulfanylethyl)ethanamine is sourced from PubChem (CID 106428413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).