4-methoxy-N-(2-prop-2-ynylsulfanylethyl)butan-2-amine

C10H19NOS — CID 115891473

IUPAC4-methoxy-N-(2-prop-2-ynylsulfanylethyl)butan-2-amine
SMILESC#CCSCCNC(C)CCOC
InChIInChI=1S/C10H19NOS/c1-4-8-13-9-6-11-10(2)5-7-12-3/h1,10-11H,5-9H2,2-3H3
InChIKeyWDHSYSUCKNZDFO-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.37
Rot. Bonds8

About 4-methoxy-N-(2-prop-2-ynylsulfanylethyl)butan-2-amine

4-methoxy-N-(2-prop-2-ynylsulfanylethyl)butan-2-amine (PubChem CID 115891473) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 4-methoxy-N-(2-prop-2-ynylsulfanylethyl)butan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(2-prop-2-ynylsulfanylethyl)butan-2-amine
PubChem CID115891473
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name4-methoxy-N-(2-prop-2-ynylsulfanylethyl)butan-2-amine
SMILESC#CCSCCNC(C)CCOC
InChIInChI=1S/C10H19NOS/c1-4-8-13-9-6-11-10(2)5-7-12-3/h1,10-11H,5-9H2,2-3H3
InChIKeyWDHSYSUCKNZDFO-UHFFFAOYSA-N
XLogP1.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.37
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

2-N-(2-prop-2-ynylsulfanylethyl)propane-1,2-diamine
CID 106426592
6-methyl-N-(2-prop-2-ynylsulfanylethyl)hept-5-en-2-amine
CID 115891537
N-(2-prop-2-ynylsulfanylethyl)but-3-yn-2-amine
CID 106428583
3-methyl-N-(2-prop-2-ynylsulfanylethyl)pentan-2-amine
CID 103902534
methyl 2-(2-prop-2-ynylsulfanylethylamino)propanoate
CID 106426518
4-[4-(difluoromethoxy)phenyl]-N-(2-prop-2-ynylsulfanylethyl)butan-2-amine
CID 103902504
N-(2-prop-2-ynylsulfanylethyl)pentan-3-amine
CID 103902575
1-methoxy-N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine
CID 62577802
5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol
CID 103905392
N-(2-fluoroethyl)-4-methoxybutan-2-amine
CID 80695684
2-(2-methylpropoxy)-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 106428413
1-cyclohexyl-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 115677247

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-prop-2-ynylsulfanylethyl)butan-2-amine?
The IUPAC name of 4-methoxy-N-(2-prop-2-ynylsulfanylethyl)butan-2-amine (CID 115891473) is 4-methoxy-N-(2-prop-2-ynylsulfanylethyl)butan-2-amine.
What is the SMILES notation for 4-methoxy-N-(2-prop-2-ynylsulfanylethyl)butan-2-amine?
The canonical SMILES for 4-methoxy-N-(2-prop-2-ynylsulfanylethyl)butan-2-amine is C#CCSCCNC(C)CCOC.
What is the InChIKey of 4-methoxy-N-(2-prop-2-ynylsulfanylethyl)butan-2-amine?
The InChIKey is WDHSYSUCKNZDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-4-8-13-9-6-11-10(2)5-7-12-3/h1,10-11H,5-9H2,2-3H3.
What are the key properties of 4-methoxy-N-(2-prop-2-ynylsulfanylethyl)butan-2-amine?
4-methoxy-N-(2-prop-2-ynylsulfanylethyl)butan-2-amine has a molecular weight of 201.33 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-prop-2-ynylsulfanylethyl)butan-2-amine is sourced from PubChem (CID 115891473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).