(Z,3S,6S)-8-methyl-6-(methylamino)-3-(2-methylpropyl)non-4-en-2-one

C15H29NO — CID 59105020

IUPAC(Z,3S,6S)-8-methyl-6-(methylamino)-3-(2-methylpropyl)non-4-en-2-one
SMILESCN[C@H](/C=C\[C@H](CC(C)C)C(C)=O)CC(C)C
InChIInChI=1S/C15H29NO/c1-11(2)9-14(13(5)17)7-8-15(16-6)10-12(3)4/h7-8,11-12,14-16H,9-10H2,1-6H3/b8-7-/t14-,15-/m1/s1
InChIKeyOMAFHZBVKYXQPR-AZJURWTESA-N
MW239.40 g/mol
LogP3.43
Rot. Bonds8

About (Z,3S,6S)-8-methyl-6-(methylamino)-3-(2-methylpropyl)non-4-en-2-one

(Z,3S,6S)-8-methyl-6-(methylamino)-3-(2-methylpropyl)non-4-en-2-one (PubChem CID 59105020) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (Z,3S,6S)-8-methyl-6-(methylamino)-3-(2-methylpropyl)non-4-en-2-one.

Molecular Properties

Compound Name(Z,3S,6S)-8-methyl-6-(methylamino)-3-(2-methylpropyl)non-4-en-2-one
PubChem CID59105020
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(Z,3S,6S)-8-methyl-6-(methylamino)-3-(2-methylpropyl)non-4-en-2-one
SMILESCN[C@H](/C=C\[C@H](CC(C)C)C(C)=O)CC(C)C
InChIInChI=1S/C15H29NO/c1-11(2)9-14(13(5)17)7-8-15(16-6)10-12(3)4/h7-8,11-12,14-16H,9-10H2,1-6H3/b8-7-/t14-,15-/m1/s1
InChIKeyOMAFHZBVKYXQPR-AZJURWTESA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.43
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 (Z,3S,6S)-8-methyl-6-(methylamino)-3-(2-methylpropyl)non-4-en-2-one?
The IUPAC name of (Z,3S,6S)-8-methyl-6-(methylamino)-3-(2-methylpropyl)non-4-en-2-one (CID 59105020) is (Z,3S,6S)-8-methyl-6-(methylamino)-3-(2-methylpropyl)non-4-en-2-one.
What is the SMILES notation for (Z,3S,6S)-8-methyl-6-(methylamino)-3-(2-methylpropyl)non-4-en-2-one?
The canonical SMILES for (Z,3S,6S)-8-methyl-6-(methylamino)-3-(2-methylpropyl)non-4-en-2-one is CN[C@H](/C=C\[C@H](CC(C)C)C(C)=O)CC(C)C.
What is the InChIKey of (Z,3S,6S)-8-methyl-6-(methylamino)-3-(2-methylpropyl)non-4-en-2-one?
The InChIKey is OMAFHZBVKYXQPR-AZJURWTESA-N. The full InChI is InChI=1S/C15H29NO/c1-11(2)9-14(13(5)17)7-8-15(16-6)10-12(3)4/h7-8,11-12,14-16H,9-10H2,1-6H3/b8-7-/t14-,15-/m1/s1.
What are the key properties of (Z,3S,6S)-8-methyl-6-(methylamino)-3-(2-methylpropyl)non-4-en-2-one?
(Z,3S,6S)-8-methyl-6-(methylamino)-3-(2-methylpropyl)non-4-en-2-one has a molecular weight of 239.40 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S,6S)-8-methyl-6-(methylamino)-3-(2-methylpropyl)non-4-en-2-one is sourced from PubChem (CID 59105020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).