2-ethenyl-2-methyl-5-methylsulfanyl-N-propan-2-ylpentan-1-amine

C12H25NS — CID 102641034

IUPAC2-ethenyl-2-methyl-5-methylsulfanyl-N-propan-2-ylpentan-1-amine
SMILESC=CC(C)(CCCSC)CNC(C)C
InChIInChI=1S/C12H25NS/c1-6-12(4,8-7-9-14-5)10-13-11(2)3/h6,11,13H,1,7-10H2,2-5H3
InChIKeyHHJSEVUBRMOYRH-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.32
Rot. Bonds8

About 2-ethenyl-2-methyl-5-methylsulfanyl-N-propan-2-ylpentan-1-amine

2-ethenyl-2-methyl-5-methylsulfanyl-N-propan-2-ylpentan-1-amine (PubChem CID 102641034) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 2-ethenyl-2-methyl-5-methylsulfanyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-ethenyl-2-methyl-5-methylsulfanyl-N-propan-2-ylpentan-1-amine
PubChem CID102641034
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name2-ethenyl-2-methyl-5-methylsulfanyl-N-propan-2-ylpentan-1-amine
SMILESC=CC(C)(CCCSC)CNC(C)C
InChIInChI=1S/C12H25NS/c1-6-12(4,8-7-9-14-5)10-13-11(2)3/h6,11,13H,1,7-10H2,2-5H3
InChIKeyHHJSEVUBRMOYRH-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.32
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

2-ethenyl-2-methyl-N-propan-2-ylpentan-1-amine
CID 102641061
2-(cyclopentylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641015
2-(ethoxymethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641012
2-[2-(4-methoxyphenoxy)ethyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641027
2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102640971
2-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbut-3-en-1-amine
CID 102641068
2-methyl-N-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-amine
CID 102640980
2-[(2-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102640962
2-(furan-2-ylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641014
2-methyl-N-propan-2-yl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]but-3-en-1-amine
CID 102641053
2-methyl-2-(phenylmethoxymethyl)-N-propan-2-ylbut-3-en-1-amine
CID 102940664
2-ethenyl-N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102640599

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-methyl-5-methylsulfanyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-ethenyl-2-methyl-5-methylsulfanyl-N-propan-2-ylpentan-1-amine (CID 102641034) is 2-ethenyl-2-methyl-5-methylsulfanyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-ethenyl-2-methyl-5-methylsulfanyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-ethenyl-2-methyl-5-methylsulfanyl-N-propan-2-ylpentan-1-amine is C=CC(C)(CCCSC)CNC(C)C.
What is the InChIKey of 2-ethenyl-2-methyl-5-methylsulfanyl-N-propan-2-ylpentan-1-amine?
The InChIKey is HHJSEVUBRMOYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-6-12(4,8-7-9-14-5)10-13-11(2)3/h6,11,13H,1,7-10H2,2-5H3.
What are the key properties of 2-ethenyl-2-methyl-5-methylsulfanyl-N-propan-2-ylpentan-1-amine?
2-ethenyl-2-methyl-5-methylsulfanyl-N-propan-2-ylpentan-1-amine has a molecular weight of 215.41 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-methyl-5-methylsulfanyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 102641034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).