2-ethenyl-N,2-dimethyl-5-methylsulfanylpentan-1-amine

C10H21NS — CID 102640539

IUPAC2-ethenyl-N,2-dimethyl-5-methylsulfanylpentan-1-amine
SMILESC=CC(C)(CCCSC)CNC
InChIInChI=1S/C10H21NS/c1-5-10(2,9-11-3)7-6-8-12-4/h5,11H,1,6-9H2,2-4H3
InChIKeyLRUSODCEWXFYSB-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.54
Rot. Bonds7

About 2-ethenyl-N,2-dimethyl-5-methylsulfanylpentan-1-amine

2-ethenyl-N,2-dimethyl-5-methylsulfanylpentan-1-amine (PubChem CID 102640539) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 2-ethenyl-N,2-dimethyl-5-methylsulfanylpentan-1-amine.

Molecular Properties

Compound Name2-ethenyl-N,2-dimethyl-5-methylsulfanylpentan-1-amine
PubChem CID102640539
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name2-ethenyl-N,2-dimethyl-5-methylsulfanylpentan-1-amine
SMILESC=CC(C)(CCCSC)CNC
InChIInChI=1S/C10H21NS/c1-5-10(2,9-11-3)7-6-8-12-4/h5,11H,1,6-9H2,2-4H3
InChIKeyLRUSODCEWXFYSB-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.54
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'}

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Related Compounds

N,2-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]but-3-en-1-amine
CID 102640526
2-(2,3-dihydrothiophen-2-yl)-N,2-dimethylpropan-1-amine
CID 155439741
N-methyl-4-methylsulfanylhex-5-en-1-amine
CID 166885618
2-Methyl-2-(2-methylsulfanylethyl)but-3-en-1-amine
CID 102640267
2-Ethenyl-2-methyl-5-methylsulfanylpentan-1-amine
CID 102640361
2-Ethenyl-5-ethylsulfanyl-2-methylpentan-1-amine
CID 102640383
N,2-dimethyl-2-(2-methylsulfanylethyl)but-3-en-1-amine
CID 102640448
2-ethenyl-N,2-dimethyl-5-methylsulfonylpentan-1-amine
CID 102640476
2-ethenyl-5-ethylsulfanyl-N,2-dimethylpentan-1-amine
CID 102640560
2-ethenyl-5-ethylsulfonyl-N,2-dimethylpentan-1-amine
CID 102640561
2-(2-ethylsulfanylethyl)-N,2-dimethylbut-3-en-1-amine
CID 102640612
N-ethyl-2-methyl-2-(2-methylsulfanylethyl)but-3-en-1-amine
CID 102640624

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N,2-dimethyl-5-methylsulfanylpentan-1-amine?
The IUPAC name of 2-ethenyl-N,2-dimethyl-5-methylsulfanylpentan-1-amine (CID 102640539) is 2-ethenyl-N,2-dimethyl-5-methylsulfanylpentan-1-amine.
What is the SMILES notation for 2-ethenyl-N,2-dimethyl-5-methylsulfanylpentan-1-amine?
The canonical SMILES for 2-ethenyl-N,2-dimethyl-5-methylsulfanylpentan-1-amine is C=CC(C)(CCCSC)CNC.
What is the InChIKey of 2-ethenyl-N,2-dimethyl-5-methylsulfanylpentan-1-amine?
The InChIKey is LRUSODCEWXFYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-5-10(2,9-11-3)7-6-8-12-4/h5,11H,1,6-9H2,2-4H3.
What are the key properties of 2-ethenyl-N,2-dimethyl-5-methylsulfanylpentan-1-amine?
2-ethenyl-N,2-dimethyl-5-methylsulfanylpentan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N,2-dimethyl-5-methylsulfanylpentan-1-amine is sourced from PubChem (CID 102640539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).