2-ethenyl-N-ethyl-2-methyl-5-methylsulfanylpentan-1-amine

C11H23NS — CID 102640708

IUPAC2-ethenyl-N-ethyl-2-methyl-5-methylsulfanylpentan-1-amine
SMILESC=CC(C)(CCCSC)CNCC
InChIInChI=1S/C11H23NS/c1-5-11(3,10-12-6-2)8-7-9-13-4/h5,12H,1,6-10H2,2-4H3
InChIKeyKRNWPRVAVULFID-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.93
Rot. Bonds8

About 2-ethenyl-N-ethyl-2-methyl-5-methylsulfanylpentan-1-amine

2-ethenyl-N-ethyl-2-methyl-5-methylsulfanylpentan-1-amine (PubChem CID 102640708) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 2-ethenyl-N-ethyl-2-methyl-5-methylsulfanylpentan-1-amine.

Molecular Properties

Compound Name2-ethenyl-N-ethyl-2-methyl-5-methylsulfanylpentan-1-amine
PubChem CID102640708
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name2-ethenyl-N-ethyl-2-methyl-5-methylsulfanylpentan-1-amine
SMILESC=CC(C)(CCCSC)CNCC
InChIInChI=1S/C11H23NS/c1-5-11(3,10-12-6-2)8-7-9-13-4/h5,12H,1,6-10H2,2-4H3
InChIKeyKRNWPRVAVULFID-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethenyl-N-ethyl-2-methyl-5-methylsulfanylpentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]but-3-en-1-amine
CID 102640695
2-methyl-N-propyl-2-[2-(trifluoromethylsulfanyl)ethyl]but-3-en-1-amine
CID 102640861
2-methyl-N-(2-methylpropyl)-2-[2-(trifluoromethylsulfanyl)ethyl]but-3-en-1-amine
CID 102641524
2-Thia-8-azaspiro[4.5]dec-3-ene
CID 146542253
2-(2,3-dihydrothiophen-2-yl)-N,2-dimethylpropan-1-amine
CID 155439741
N-methyl-4-methylsulfanylhex-5-en-1-amine
CID 166885618
2-(3-Methylpent-1-en-3-yl)-1,3-thiazolidine
CID 14510630
5-Methyl-2-(3-methylpent-1-en-3-yl)-1,3-thiazolidine
CID 14510644
N-[(2-methylthiolan-2-yl)methyl]but-3-en-1-amine
CID 80721859
N-[(2-methylthiolan-2-yl)methyl]pent-4-en-1-amine
CID 80723223
2-Ethenyl-2-methyl-5-methylsulfanylpentan-1-amine
CID 102640361
2-Ethenyl-5-ethylsulfanyl-2-methylpentan-1-amine
CID 102640383

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N-ethyl-2-methyl-5-methylsulfanylpentan-1-amine?
The IUPAC name of 2-ethenyl-N-ethyl-2-methyl-5-methylsulfanylpentan-1-amine (CID 102640708) is 2-ethenyl-N-ethyl-2-methyl-5-methylsulfanylpentan-1-amine.
What is the SMILES notation for 2-ethenyl-N-ethyl-2-methyl-5-methylsulfanylpentan-1-amine?
The canonical SMILES for 2-ethenyl-N-ethyl-2-methyl-5-methylsulfanylpentan-1-amine is C=CC(C)(CCCSC)CNCC.
What is the InChIKey of 2-ethenyl-N-ethyl-2-methyl-5-methylsulfanylpentan-1-amine?
The InChIKey is KRNWPRVAVULFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-5-11(3,10-12-6-2)8-7-9-13-4/h5,12H,1,6-10H2,2-4H3.
What are the key properties of 2-ethenyl-N-ethyl-2-methyl-5-methylsulfanylpentan-1-amine?
2-ethenyl-N-ethyl-2-methyl-5-methylsulfanylpentan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-ethyl-2-methyl-5-methylsulfanylpentan-1-amine is sourced from PubChem (CID 102640708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).