6,6,7-trimethyl-N-(3-methyl-3-methylsulfanylbutan-2-yl)oct-7-en-3-amine

C17H35NS — CID 166919209

IUPAC6,6,7-trimethyl-N-(3-methyl-3-methylsulfanylbutan-2-yl)oct-7-en-3-amine
SMILESC=C(C)C(C)(C)CCC(CC)NC(C)C(C)(C)SC
InChIInChI=1S/C17H35NS/c1-10-15(11-12-16(5,6)13(2)3)18-14(4)17(7,8)19-9/h14-15,18H,2,10-12H2,1,3-9H3
InChIKeyVODDLFZBUPNYPR-UHFFFAOYSA-N
MW285.54 g/mol
LogP5.27
Rot. Bonds9

About 6,6,7-trimethyl-N-(3-methyl-3-methylsulfanylbutan-2-yl)oct-7-en-3-amine

6,6,7-trimethyl-N-(3-methyl-3-methylsulfanylbutan-2-yl)oct-7-en-3-amine (PubChem CID 166919209) has the molecular formula C17H35NS and a molecular weight of 285.54 g/mol. Its IUPAC name is 6,6,7-trimethyl-N-(3-methyl-3-methylsulfanylbutan-2-yl)oct-7-en-3-amine.

Molecular Properties

Compound Name6,6,7-trimethyl-N-(3-methyl-3-methylsulfanylbutan-2-yl)oct-7-en-3-amine
PubChem CID166919209
Molecular FormulaC17H35NS
Molecular Weight285.54 g/mol
Exact Mass285.25
IUPAC Name6,6,7-trimethyl-N-(3-methyl-3-methylsulfanylbutan-2-yl)oct-7-en-3-amine
SMILESC=C(C)C(C)(C)CCC(CC)NC(C)C(C)(C)SC
InChIInChI=1S/C17H35NS/c1-10-15(11-12-16(5,6)13(2)3)18-14(4)17(7,8)19-9/h14-15,18H,2,10-12H2,1,3-9H3
InChIKeyVODDLFZBUPNYPR-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.54
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6,6,7-trimethyl-N-(3-methyl-3-methylsulfanylbutan-2-yl)oct-7-en-3-amine?
The IUPAC name of 6,6,7-trimethyl-N-(3-methyl-3-methylsulfanylbutan-2-yl)oct-7-en-3-amine (CID 166919209) is 6,6,7-trimethyl-N-(3-methyl-3-methylsulfanylbutan-2-yl)oct-7-en-3-amine.
What is the SMILES notation for 6,6,7-trimethyl-N-(3-methyl-3-methylsulfanylbutan-2-yl)oct-7-en-3-amine?
The canonical SMILES for 6,6,7-trimethyl-N-(3-methyl-3-methylsulfanylbutan-2-yl)oct-7-en-3-amine is C=C(C)C(C)(C)CCC(CC)NC(C)C(C)(C)SC.
What is the InChIKey of 6,6,7-trimethyl-N-(3-methyl-3-methylsulfanylbutan-2-yl)oct-7-en-3-amine?
The InChIKey is VODDLFZBUPNYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NS/c1-10-15(11-12-16(5,6)13(2)3)18-14(4)17(7,8)19-9/h14-15,18H,2,10-12H2,1,3-9H3.
What are the key properties of 6,6,7-trimethyl-N-(3-methyl-3-methylsulfanylbutan-2-yl)oct-7-en-3-amine?
6,6,7-trimethyl-N-(3-methyl-3-methylsulfanylbutan-2-yl)oct-7-en-3-amine has a molecular weight of 285.54 g/mol, XLogP of 5.27, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7-trimethyl-N-(3-methyl-3-methylsulfanylbutan-2-yl)oct-7-en-3-amine is sourced from PubChem (CID 166919209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).