6-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]hept-5-en-2-amine

C14H28N2O2S — CID 84595935

IUPAC6-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]hept-5-en-2-amine
SMILESCC(C)=CCCC(C)NCC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H28N2O2S/c1-12(2)6-5-7-13(3)15-10-14-8-9-16(11-14)19(4,17)18/h6,13-15H,5,7-11H2,1-4H3
InChIKeyWFOCDXJNMLLWDI-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.99
Rot. Bonds7

About 6-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]hept-5-en-2-amine

6-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]hept-5-en-2-amine (PubChem CID 84595935) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 6-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]hept-5-en-2-amine.

Molecular Properties

Compound Name6-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]hept-5-en-2-amine
PubChem CID84595935
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC Name6-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]hept-5-en-2-amine
SMILESCC(C)=CCCC(C)NCC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H28N2O2S/c1-12(2)6-5-7-13(3)15-10-14-8-9-16(11-14)19(4,17)18/h6,13-15H,5,7-11H2,1-4H3
InChIKeyWFOCDXJNMLLWDI-UHFFFAOYSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]hept-5-en-2-amine?
The IUPAC name of 6-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]hept-5-en-2-amine (CID 84595935) is 6-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]hept-5-en-2-amine.
What is the SMILES notation for 6-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]hept-5-en-2-amine?
The canonical SMILES for 6-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]hept-5-en-2-amine is CC(C)=CCCC(C)NCC1CCN(S(C)(=O)=O)C1.
What is the InChIKey of 6-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]hept-5-en-2-amine?
The InChIKey is WFOCDXJNMLLWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-12(2)6-5-7-13(3)15-10-14-8-9-16(11-14)19(4,17)18/h6,13-15H,5,7-11H2,1-4H3.
What are the key properties of 6-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]hept-5-en-2-amine?
6-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]hept-5-en-2-amine has a molecular weight of 288.46 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]hept-5-en-2-amine is sourced from PubChem (CID 84595935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).