N,2,6-trimethyl-2-methylsulfonylhept-6-en-3-amine

C11H23NO2S — CID 105039485

IUPACN,2,6-trimethyl-2-methylsulfonylhept-6-en-3-amine
SMILESC=C(C)CCC(NC)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H23NO2S/c1-9(2)7-8-10(12-5)11(3,4)15(6,13)14/h10,12H,1,7-8H2,2-6H3
InChIKeyVGKMLTWVEYEGQZ-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.75
Rot. Bonds6

About N,2,6-trimethyl-2-methylsulfonylhept-6-en-3-amine

N,2,6-trimethyl-2-methylsulfonylhept-6-en-3-amine (PubChem CID 105039485) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N,2,6-trimethyl-2-methylsulfonylhept-6-en-3-amine.

Molecular Properties

Compound NameN,2,6-trimethyl-2-methylsulfonylhept-6-en-3-amine
PubChem CID105039485
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN,2,6-trimethyl-2-methylsulfonylhept-6-en-3-amine
SMILESC=C(C)CCC(NC)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H23NO2S/c1-9(2)7-8-10(12-5)11(3,4)15(6,13)14/h10,12H,1,7-8H2,2-6H3
InChIKeyVGKMLTWVEYEGQZ-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,2,7-trimethyl-2-methylsulfonyloctan-3-amine
CID 105028788
2-N,2-N-diethyl-3-N,2,6-trimethylhept-6-ene-2,3-diamine
CID 114475156
N,2,6-trimethyl-2-phenylhept-6-en-3-amine
CID 114474619
N-ethyl-5-methyl-1-methylsulfonylhex-5-en-2-amine
CID 105039511
N,2-dimethyl-2-methylsulfonylhept-5-yn-3-amine
CID 115819643
N,2,7,8,8-pentamethylnon-1-en-5-amine
CID 105039716
(2,7-dimethyl-2-methylsulfonyloctan-3-yl)hydrazine
CID 105331426
N-ethyl-2,4-dimethyl-4-methylsulfonylpent-1-en-3-amine
CID 105005182
3,3,7-trimethyloct-7-en-4-ylhydrazine
CID 105336008
N,2,6-trimethylhept-6-en-3-amine
CID 114474208
N-ethyl-2-methyl-2-methylsulfonylhept-6-en-3-amine
CID 104987354
(7,7,7-trifluoro-2-methyl-2-methylsulfonylheptan-3-yl)hydrazine
CID 105329070

Frequently Asked Questions

What is the IUPAC name of N,2,6-trimethyl-2-methylsulfonylhept-6-en-3-amine?
The IUPAC name of N,2,6-trimethyl-2-methylsulfonylhept-6-en-3-amine (CID 105039485) is N,2,6-trimethyl-2-methylsulfonylhept-6-en-3-amine.
What is the SMILES notation for N,2,6-trimethyl-2-methylsulfonylhept-6-en-3-amine?
The canonical SMILES for N,2,6-trimethyl-2-methylsulfonylhept-6-en-3-amine is C=C(C)CCC(NC)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N,2,6-trimethyl-2-methylsulfonylhept-6-en-3-amine?
The InChIKey is VGKMLTWVEYEGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-9(2)7-8-10(12-5)11(3,4)15(6,13)14/h10,12H,1,7-8H2,2-6H3.
What are the key properties of N,2,6-trimethyl-2-methylsulfonylhept-6-en-3-amine?
N,2,6-trimethyl-2-methylsulfonylhept-6-en-3-amine has a molecular weight of 233.38 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethyl-2-methylsulfonylhept-6-en-3-amine is sourced from PubChem (CID 105039485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).